4-Hydroxy-2,5-dimethylbenzaldehyde

CAT: 0127-OR912853-01Size: 250 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR912853-01Size:250 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

85231-15-8

MDL Number

MFCD03411744

Purity

97%

Smiles

Cc1cc(C=O)c(C)cc1O

Chemical Information

4-Hydroxy-2,5-dimethyl-benzaldehyde

CAS Number	85231-15-8
PubChem CID	12827290
IUPAC Name	4-hydroxy-2,5-dimethylbenzaldehyde
Molecular Formula	C9H10O2
Molecular Weight	150.17
XLogP	1.8
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	144

SMILES

CC1=CC(=C(C=C1O)C)C=O

InChI

InChI=1S/C9H10O2/c1-6-4-9(11)7(2)3-8(6)5-10/h3-5,11H,1-2H3

InChIKey

XLIMLVMYIYSMIQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 85231-15-8

CID: 12827290

Formula: C9H10O2

MW: 150.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	150.17
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	150.068079557
Monoisotopic Mass	150.068079557
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	144
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
OR1097147-01	2-Hydroxy-4,5-dimethylbenzaldehyde
OR1042307-01	4-Hydroxy-2,3-dimethylbenzaldehyde
OR1029406-01	2-Hydroxy-4,6-dimethylbenzaldehyde
OR1083854-01	4- (Benzyloxy) -2,5-dimethylbenzaldehyde
PC1012722	2-fluoro-4,5-dimethylbenzaldehyde
OR1097276-01	2-Benzyloxy-4,5-dimethylbenzaldehyde
PC1010679	2- (difluoromethoxy) -4,5-dimethylbenzaldehyde
OR1088460-01	5-Ethoxy-2,4-dimethylbenzaldehyde
OR1085406-01	4- (Methoxymethoxy) -2,5-dimethylbenzaldehyde
OR1094439	4-Chloro-2,5-dimethylbenzaldehyde

Catalog	Name
JH169323	2-hydroxy-4,5-dimethylbenzaldehyde
432616-01	4-Hydroxy-2,5-dimethylbenzaldehyde
TYD-00578-01	4-Hydroxy-3,5-dimethylbenzaldehyde
FH66536-01	2-Hydroxy-4,6-dimethoxy-3,5-dimethylbenzaldehyde
EEC96030-01	2- (Difluoromethoxy) -4,5-dimethylbenzaldehyde
LDA58231-01	2-Methoxy-4,5-dimethylbenzaldehyde
BKD16154-01	4-Iodo-2,5-dimethylbenzaldehyde
NDA11174	4-Bromo-2,5-dimethylbenzaldehyde
FD61423-01	2,5-Dimethylbenzaldehyde
sc-256350	2,5-Dimethylbenzaldehyde-2,4-DNPH