5-Methoxy-2,4-dimethylphenol

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CAS Number

81633-94-5

MDL Number

MFCD24717966

Smiles

C1 (c (cc (c (c1) O) C) C) OC

Chemical Information

5-Methoxy-2,4-dimethylphenol

CAS Number	81633-94-5
PubChem CID	12815572
IUPAC Name	5-methoxy-2,4-dimethylphenol
Molecular Formula	C9H12O2
Molecular Weight	152.19
XLogP	2.3
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	125

SMILES

CC1=CC(=C(C=C1O)OC)C

InChI

InChI=1S/C9H12O2/c1-6-4-7(2)9(11-3)5-8(6)10/h4-5,10H,1-3H3

InChIKey

HFWQZZPQUOMMEH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 81633-94-5

CID: 12815572

Formula: C9H12O2

MW: 152.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	152.19
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	152.083729621
Monoisotopic Mass	152.083729621
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	125
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

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