3-methoxyphenol

C7H8O2 — CID 9007

IUPAC3-methoxyphenol
SMILESCOc1cccc(O)c1
InChIInChI=1S/C7H8O2/c1-9-7-4-2-3-6(8)5-7/h2-5,8H,1H3
InChIKeyASHGTJPOSUFTGB-UHFFFAOYSA-N
MW124.14 g/mol
LogP1.40
Rot. Bonds1

About 3-methoxyphenol

3-methoxyphenol (PubChem CID 9007) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is 3-methoxyphenol.

Molecular Properties

Compound Name3-methoxyphenol
PubChem CID9007
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Name3-methoxyphenol
SMILESCOc1cccc(O)c1
InChIInChI=1S/C7H8O2/c1-9-7-4-2-3-6(8)5-7/h2-5,8H,1H3
InChIKeyASHGTJPOSUFTGB-UHFFFAOYSA-N
XLogP1.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Resorcinol
CID 5054
Phloroglucinol
CID 359
4-Methoxyphenol
CID 9015
1,3,5-Trimethoxybenzene
CID 69301
2,6-Dimethoxyphenol
CID 7041
Acetylresorcinol
CID 5055
Flamenol
CID 71648
1,3-Dimethoxybenzene
CID 9025
3,4,5-Trimethoxyphenol
CID 69505
3-Methoxycatechol
CID 13622
3-Methoxy-5-Methylphenol
CID 76674
3-Phenoxyphenol
CID 12842

Frequently Asked Questions

What is the IUPAC name of 3-methoxyphenol?
The IUPAC name of 3-methoxyphenol (CID 9007) is 3-methoxyphenol.
What is the SMILES notation for 3-methoxyphenol?
The canonical SMILES for 3-methoxyphenol is COc1cccc(O)c1.
What is the InChIKey of 3-methoxyphenol?
The InChIKey is ASHGTJPOSUFTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2/c1-9-7-4-2-3-6(8)5-7/h2-5,8H,1H3.
What are the key properties of 3-methoxyphenol?
3-methoxyphenol has a molecular weight of 124.14 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyphenol is sourced from PubChem (CID 9007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).