3-(3-methoxyphenyl)phenol

C13H12O2 — CID 22054933

IUPAC3-(3-methoxyphenyl)phenol
SMILESCOc1cccc(-c2cccc(O)c2)c1
InChIInChI=1S/C13H12O2/c1-15-13-7-3-5-11(9-13)10-4-2-6-12(14)8-10/h2-9,14H,1H3
InChIKeyBBXKOSUDMWVFIK-UHFFFAOYSA-N
MW200.24 g/mol
LogP3.07
Rot. Bonds2

About 3-(3-methoxyphenyl)phenol

3-(3-methoxyphenyl)phenol (PubChem CID 22054933) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)phenol.

Molecular Properties

Compound Name3-(3-methoxyphenyl)phenol
PubChem CID22054933
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name3-(3-methoxyphenyl)phenol
SMILESCOc1cccc(-c2cccc(O)c2)c1
InChIInChI=1S/C13H12O2/c1-15-13-7-3-5-11(9-13)10-4-2-6-12(14)8-10/h2-9,14H,1H3
InChIKeyBBXKOSUDMWVFIK-UHFFFAOYSA-N
XLogP3.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)phenol?
The IUPAC name of 3-(3-methoxyphenyl)phenol (CID 22054933) is 3-(3-methoxyphenyl)phenol.
What is the SMILES notation for 3-(3-methoxyphenyl)phenol?
The canonical SMILES for 3-(3-methoxyphenyl)phenol is COc1cccc(-c2cccc(O)c2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)phenol?
The InChIKey is BBXKOSUDMWVFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c1-15-13-7-3-5-11(9-13)10-4-2-6-12(14)8-10/h2-9,14H,1H3.
What are the key properties of 3-(3-methoxyphenyl)phenol?
3-(3-methoxyphenyl)phenol has a molecular weight of 200.24 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)phenol is sourced from PubChem (CID 22054933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).