2- (benzyloxy) -5-hydroxybenzaldehyde

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CAS Number

161192-21-8

MDL Number

MFCD11848037

Smiles

C1c (c (cc (c1) O) C=O) OCc1ccccc1

Chemical Information

2-(Benzyloxy)-5-hydroxybenzaldehyde

CAS Number	161192-21-8
PubChem CID	18536192
IUPAC Name	5-hydroxy-2-phenylmethoxybenzaldehyde
Molecular Formula	C14H12O3
Molecular Weight	228.24
XLogP	2.5
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	236

SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)O)C=O

InChI

InChI=1S/C14H12O3/c15-9-12-8-13(16)6-7-14(12)17-10-11-4-2-1-3-5-11/h1-9,16H,10H2

InChIKey

CRUNCTWMFHQFTC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 161192-21-8

CID: 18536192

Formula: C14H12O3

MW: 228.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	228.24
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	228.078644241
Monoisotopic Mass	228.078644241
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	236
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
OR315520-01	4- (Benzyloxy) -2-hydroxybenzaldehyde
OR74284-01	4- (Benzyloxy) -3-hydroxybenzaldehyde
OR70176-01	3- (Benzyloxy) -4-hydroxybenzaldehyde
OR1056067-01	5-Benzyl-2-hydroxybenzaldehyde
OR1005469	5-Acetyl-2-hydroxybenzaldehyde
OR313096-01	2-Chloro-5-hydroxybenzaldehyde
OR21356-01	5-Bromo-2-hydroxybenzaldehyde
OR6691-01	5- (Dimethylamino) -2-hydroxybenzaldehyde
OR1167-01	5-Chloro-2-hydroxybenzaldehyde
OR1049985-01	5- (Diethylamino) -2-hydroxybenzaldehyde

Catalog	Name
TRC-B286420-1G	3-Benzyloxy-4-hydroxybenzaldehyde
MBS6048990-01	4-Benzyloxy-3-hydroxybenzaldehyde
LDA73459-01	3- (Benzyloxy) -2-hydroxybenzaldehyde
sc-277120	4-Benzyloxy-2-hydroxybenzaldehyde
CCA08514	4- (Benzyloxy) -2-hydroxybenzaldehyde
003733	4- (Benzyloxy) -3-hydroxybenzaldehyde p-Toluenesulfonate
MBS6084943-01	4-(Benzyloxy)-3-hydroxybenzaldehyde p-Toluenesulfonate
264074-01	5- (Benzyloxy) indole
TRC-B121940-10MG	5-(Benzyloxy)resorcinol
TRC-B287450-50MG	5-Benzyloxy Omeprazole