[2-(4-hydroxy-3-methylphenoxy)phenyl]-phenylmethanone

C20H16O3 — CID 67943677

IUPAC[2-(4-hydroxy-3-methylphenoxy)phenyl]-phenylmethanone
SMILESCc1cc(Oc2ccccc2C(=O)c2ccccc2)ccc1O
InChIInChI=1S/C20H16O3/c1-14-13-16(11-12-18(14)21)23-19-10-6-5-9-17(19)20(22)15-7-3-2-4-8-15/h2-13,21H,1H3
InChIKeyJOPNJMMXVCRNIU-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.72
Rot. Bonds4

About [2-(4-hydroxy-3-methylphenoxy)phenyl]-phenylmethanone

[2-(4-hydroxy-3-methylphenoxy)phenyl]-phenylmethanone (PubChem CID 67943677) has the molecular formula C20H16O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is [2-(4-hydroxy-3-methylphenoxy)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(4-hydroxy-3-methylphenoxy)phenyl]-phenylmethanone
PubChem CID67943677
Molecular FormulaC20H16O3
Molecular Weight304.35 g/mol
Exact Mass304.11
IUPAC Name[2-(4-hydroxy-3-methylphenoxy)phenyl]-phenylmethanone
SMILESCc1cc(Oc2ccccc2C(=O)c2ccccc2)ccc1O
InChIInChI=1S/C20H16O3/c1-14-13-16(11-12-18(14)21)23-19-10-6-5-9-17(19)20(22)15-7-3-2-4-8-15/h2-13,21H,1H3
InChIKeyJOPNJMMXVCRNIU-UHFFFAOYSA-N
XLogP4.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-phenoxyphenyl)-phenylmethanone
CID 10802273
2-methyl-4-phenoxyphenol
CID 23089676
2-(4-hydroxy-3-methylphenoxy)-6-methylphenol
CID 66844209
[2-(2-methoxyphenoxy)phenyl]-phenylmethanone
CID 157433245
(4-hydroxy-2,5-dimethylphenyl)-phenylmethanone
CID 19026877
2-hydroxy-4-(2-methylphenoxy)benzoic acid
CID 164975487
(2-phenoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 141202220
(2-hydroxy-5-methoxy-4-methylphenyl)-phenylmethanone;methane
CID 175255493
2-(3-methyl-4-propan-2-ylphenoxy)benzoic acid
CID 29047649
[4-[4-[2-(4-aminophenoxy)benzoyl]phenoxy]phenyl]-[2-(4-aminophenoxy)phenyl]methanone
CID 70183152
2-methyl-4-(2-methylphenoxy)benzoic acid
CID 62135465
2-[2-[4-(2-methylbenzoyl)phenoxy]phenyl]acetic acid
CID 21320367

Frequently Asked Questions

What is the IUPAC name of [2-(4-hydroxy-3-methylphenoxy)phenyl]-phenylmethanone?
The IUPAC name of [2-(4-hydroxy-3-methylphenoxy)phenyl]-phenylmethanone (CID 67943677) is [2-(4-hydroxy-3-methylphenoxy)phenyl]-phenylmethanone.
What is the SMILES notation for [2-(4-hydroxy-3-methylphenoxy)phenyl]-phenylmethanone?
The canonical SMILES for [2-(4-hydroxy-3-methylphenoxy)phenyl]-phenylmethanone is Cc1cc(Oc2ccccc2C(=O)c2ccccc2)ccc1O.
What is the InChIKey of [2-(4-hydroxy-3-methylphenoxy)phenyl]-phenylmethanone?
The InChIKey is JOPNJMMXVCRNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O3/c1-14-13-16(11-12-18(14)21)23-19-10-6-5-9-17(19)20(22)15-7-3-2-4-8-15/h2-13,21H,1H3.
What are the key properties of [2-(4-hydroxy-3-methylphenoxy)phenyl]-phenylmethanone?
[2-(4-hydroxy-3-methylphenoxy)phenyl]-phenylmethanone has a molecular weight of 304.35 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-hydroxy-3-methylphenoxy)phenyl]-phenylmethanone is sourced from PubChem (CID 67943677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).