Bisphenol A Monobenzyl Ether

CAT: 0024-sc-470054Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-470054Size:10 mg

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CAS Number

42781-88-4

Chemical Information

Bisphenol A Monobenzyl Ether

CAS Number	42781-88-4
PubChem CID	10969184
IUPAC Name	4-[2-(4-phenylmethoxyphenyl)propan-2-yl]phenol
Molecular Formula	C22H22O2
Molecular Weight	318.4
XLogP	6.2
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	24
Formal Charge	0
Complexity	356

SMILES

CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H22O2/c1-22(2,18-8-12-20(23)13-9-18)19-10-14-21(15-11-19)24-16-17-6-4-3-5-7-17/h3-15,23H,16H2,1-2H3

InChIKey

XQJGIQBNDJMGCI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 42781-88-4

CID: 10969184

Formula: C22H22O2

MW: 318.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	318.4
XLogP3	6.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	318.161979940
Monoisotopic Mass	318.161979940
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	356
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
sc-475580	Tetraethylene Glycol Monobenzyl Ether
sc-473717	Pentaethylene Glycol Monobenzyl Ether
sc-252490	Bisphenol A (2,3-dihydroxypropyl) glycidyl ether
sc-252492	Bisphenol A bis (2,3-dihydroxypropyl) ether
sc-252492A	Bisphenol A bis (2,3-dihydroxypropyl) ether
sc-252494	Bisphenol F bis (2,3-dihydroxypropyl) ether
sc-503823	Bisphenol F Glycidyl 2,3-Dihydroxypropyl Ether
sc-239382	Bisphenol A (3-chloro-2-hydroxypropyl) glycidyl ether
sc-252493	Bisphenol A bis (3-chloro-2-hydroxypropyl) ether
sc-397638	Monobenzyl Phthalate

Catalog	Name
MBS6073668-01	Bisphenol A Monobenzyl Ether
B876785	Bisphenol B Monobenzyl Ether
TRC-B749205-25MG	Bisphenol B Monobenzyl Ether-beta-D-glucuronide
TRC-A678530-50MG	2,3,4-Tri-O-acetyl-alpha-D-glucuronide Bisphenol B Monobenzyl Ether
FH02681-01	Hydroquinone monobenzyl ether
503462	DIETHYLSTILBESTROL MONOBENZYL ETHER
HY-22393	Diethylene Glycol Monobenzyl Ether
HY-W044459-01	Triethylene glycol monobenzyl ether
FT72994-01	Tetraethylene glycol monobenzyl ether
OR936842-01	Bisphenol A diglycidyl ether