4-methoxy-3,5-dimethylphenol

C9H12O2 — CID 643378

IUPAC4-methoxy-3,5-dimethylphenol
SMILESCOc1c(C)cc(O)cc1C
InChIInChI=1S/C9H12O2/c1-6-4-8(10)5-7(2)9(6)11-3/h4-5,10H,1-3H3
InChIKeyOLIKAMRJNPUECN-UHFFFAOYSA-N
MW152.19 g/mol
LogP2.02
Rot. Bonds1

About 4-methoxy-3,5-dimethylphenol

4-methoxy-3,5-dimethylphenol (PubChem CID 643378) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 4-methoxy-3,5-dimethylphenol.

Molecular Properties

Compound Name4-methoxy-3,5-dimethylphenol
PubChem CID643378
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name4-methoxy-3,5-dimethylphenol
SMILESCOc1c(C)cc(O)cc1C
InChIInChI=1S/C9H12O2/c1-6-4-8(10)5-7(2)9(6)11-3/h4-5,10H,1-3H3
InChIKeyOLIKAMRJNPUECN-UHFFFAOYSA-N
XLogP2.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927
(4-hydroxy-2,6-dimethylphenoxy)boronic acid
CID 70294181
5-bromo-2-methoxy-1,3-dimethylbenzene;hydrochloride
CID 175135355
4-methoxy-3,5-dimethylbenzenesulfonic acid
CID 13356603
4-methoxy-3,5-dimethylbenzenecarbothioic S-acid
CID 116918890
6-amino-2,3-dimethoxy-4-methylphenol
CID 84658981
(4-methoxy-3,5-dimethylphenyl)-methyliodanium
CID 22251529
1-(4-methoxy-3,5-dimethylphenyl)cyclopropan-1-ol
CID 117283028
ethane;O-[(4-methoxy-3,5-dimethylphenyl)methyl]hydroxylamine
CID 154695651
(NZ)-N-[(4-methoxy-3,5-dimethylphenyl)methylidene]hydroxylamine
CID 87388843
(NE)-N-[(4-methoxy-3,5-dimethylphenyl)methylidene]hydroxylamine
CID 58938988
N-[1-(4-methoxy-3,5-dimethylphenyl)ethylidene]hydroxylamine
CID 56607063

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,5-dimethylphenol?
The IUPAC name of 4-methoxy-3,5-dimethylphenol (CID 643378) is 4-methoxy-3,5-dimethylphenol.
What is the SMILES notation for 4-methoxy-3,5-dimethylphenol?
The canonical SMILES for 4-methoxy-3,5-dimethylphenol is COc1c(C)cc(O)cc1C.
What is the InChIKey of 4-methoxy-3,5-dimethylphenol?
The InChIKey is OLIKAMRJNPUECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-6-4-8(10)5-7(2)9(6)11-3/h4-5,10H,1-3H3.
What are the key properties of 4-methoxy-3,5-dimethylphenol?
4-methoxy-3,5-dimethylphenol has a molecular weight of 152.19 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,5-dimethylphenol is sourced from PubChem (CID 643378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).