1- (2-hydroxy-4- (methoxymethoxy) phenyl) ethanone

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CAS Number

65490-08-6

Smiles

C1c (cc (c (c1) C (=O) C) O) OCOC

Chemical Information

1-(2-Hydroxy-4-(methoxymethoxy)phenyl)ethanone

CAS Number	65490-08-6
PubChem CID	11745559
IUPAC Name	1-[2-hydroxy-4-(methoxymethoxy)phenyl]ethanone
Molecular Formula	C10H12O4
Molecular Weight	196.20
XLogP	1.9
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	193

SMILES

CC(=O)C1=C(C=C(C=C1)OCOC)O

InChI

InChI=1S/C10H12O4/c1-7(11)9-4-3-8(5-10(9)12)14-6-13-2/h3-5,12H,6H2,1-2H3

InChIKey

KVFDJBFPVMQYFO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 65490-08-6

CID: 11745559

Formula: C10H12O4

MW: 196.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	196.20
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	196.07355886
Monoisotopic Mass	196.07355886
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	193
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1024981-01	1- (2-Hydroxy-4,6-Bis (Methoxymethoxy) Phenyl) Ethanone
OR1099920	1- (4- (methoxymethoxy) phenyl) ethanone
OR925660-01	1- (2-Methoxymethoxy-phenyl) -ethanone
OR1003881-01	1-[4-Methoxy-2- (methoxymethoxy) phenyl]ethanone
OR1095020-01	1- (4-Bromo-2- (methoxymethoxy) phenyl) ethanone
PC1023425-01	2,2,2-Trifluoro-1- (4- (methoxymethoxy) phenyl) ethanone
OR1099000	1-[3- (Methoxymethoxy) phenyl]ethanone
PC1019977-01	1- (2-fluoro-6- (methoxymethoxy) phenyl) ethanone
OR1090205-01	1- (5-chloro-2-methoxy-4- (methoxymethoxy) phenyl) ethanone
PC1020249-01	2,2-Difluoro-1- (2- (methoxymethoxy) phenyl) ethanone

Catalog	Name
sc-475749	1-[2,4,6-Tris (methoxymethoxy) phenyl]-ethanone
SXB21424	1-[2,3,4-Tris (methoxymethoxy) phenyl]-ethanone
TRC-T887885-5G	1-[2,4,6-Tris(methoxymethoxy)phenyl]-ethanone
DJA57269	1- (2-Hydroxy-4-trifluoromethyl-phenyl) -ethanone
TRC-C380505-2.5G	2-Chloro-1-(4-hydroxy-phenyl)-ethanone
MBS5787847	1-[2-Hydroxy-4-(hydroxymethyl)phenyl]ethanone
GTR19179932	1-[2-Hydroxy-4- (hydroxymethyl) phenyl]ethanone
416513-01	2-Chloro-1- (4-hydroxy-phenyl) -ethanone
TRC-H670930-50MG	1-[4-(1-Hydroxy-2-methylpropyl)phenyl]ethanone
sc-308047A	2-Hydroxy-1-[4- (methylsulfonyl) phenyl]-1-ethanone