4-methoxyphenol

C7H8O2 — CID 9015

IUPAC4-methoxyphenol
SMILESCOc1ccc(O)cc1
InChIInChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3
InChIKeyNWVVVBRKAWDGAB-UHFFFAOYSA-N
MW124.14 g/mol
LogP1.40
Rot. Bonds1

About 4-methoxyphenol

4-methoxyphenol (PubChem CID 9015) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is 4-methoxyphenol.

Molecular Properties

Compound Name4-methoxyphenol
PubChem CID9015
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Name4-methoxyphenol
SMILESCOc1ccc(O)cc1
InChIInChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3
InChIKeyNWVVVBRKAWDGAB-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

Hydroquinone
CID 785
Guaiacol
CID 460
Anisole
CID 7519
1,4-Dimethoxybenzene
CID 9016
3-Methoxyphenol
CID 9007
4-Ethoxyphenol
CID 12150
4,4'-Dihydroxydiphenyl ether
CID 16069
Flamenol
CID 71648
4-Phenoxyphenol
CID 13254
3,5-Dimethoxyphenol
CID 10383
4-Hydroxyphenyl acetate
CID 96009
p-Methoxyphenetole
CID 78760

Frequently Asked Questions

What is the IUPAC name of 4-methoxyphenol?
The IUPAC name of 4-methoxyphenol (CID 9015) is 4-methoxyphenol.
What is the SMILES notation for 4-methoxyphenol?
The canonical SMILES for 4-methoxyphenol is COc1ccc(O)cc1.
What is the InChIKey of 4-methoxyphenol?
The InChIKey is NWVVVBRKAWDGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3.
What are the key properties of 4-methoxyphenol?
4-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 4-methoxyphenol is sourced from PubChem (CID 9015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).