(2-hydroxy-3-methoxy-4-methylphenyl)-phenylmethanone

C15H14O3 — CID 67125104

IUPAC(2-hydroxy-3-methoxy-4-methylphenyl)-phenylmethanone
SMILESCOc1c(C)ccc(C(=O)c2ccccc2)c1O
InChIInChI=1S/C15H14O3/c1-10-8-9-12(14(17)15(10)18-2)13(16)11-6-4-3-5-7-11/h3-9,17H,1-2H3
InChIKeyOTLNDYITVZHENN-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.94
Rot. Bonds3

About (2-hydroxy-3-methoxy-4-methylphenyl)-phenylmethanone

(2-hydroxy-3-methoxy-4-methylphenyl)-phenylmethanone (PubChem CID 67125104) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is (2-hydroxy-3-methoxy-4-methylphenyl)-phenylmethanone.

Molecular Properties

Compound Name(2-hydroxy-3-methoxy-4-methylphenyl)-phenylmethanone
PubChem CID67125104
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name(2-hydroxy-3-methoxy-4-methylphenyl)-phenylmethanone
SMILESCOc1c(C)ccc(C(=O)c2ccccc2)c1O
InChIInChI=1S/C15H14O3/c1-10-8-9-12(14(17)15(10)18-2)13(16)11-6-4-3-5-7-11/h3-9,17H,1-2H3
InChIKeyOTLNDYITVZHENN-UHFFFAOYSA-N
XLogP2.94
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-hydroxy-3,5-dimethoxy-4-methylphenyl)-phenylmethanone
CID 174443655
CID 163218756
CID 163218756
CID 87284936
CID 87284936
(2-benzoyl-3,4-dimethoxyphenyl)-phenylmethanone
CID 175021550
(3-ethyl-2-hydroxy-4-methoxyphenyl)-phenylmethanone
CID 18714090
(2-hydroxy-4-methoxy-3-prop-1-enylphenyl)-phenylmethanone
CID 67658213
(2-hydroxy-4-methoxy-3-propylphenyl)-phenylmethanone
CID 86122742
(4-hydroxy-3,5-dimethoxyphenyl)-(3-hydroxy-2-methoxy-4-methylphenyl)methanone
CID 159246346
(2-hydroxy-5-methoxy-4-methylphenyl)-phenylmethanone;methane
CID 175255493
ethane;(2-hydroxyphenyl)-phenylmethanone;methoxymethane
CID 91515590
(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone
CID 159803973
(4-methyl-2,3-dioctadecoxyphenyl)-phenylmethanone
CID 90306880

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-methoxy-4-methylphenyl)-phenylmethanone?
The IUPAC name of (2-hydroxy-3-methoxy-4-methylphenyl)-phenylmethanone (CID 67125104) is (2-hydroxy-3-methoxy-4-methylphenyl)-phenylmethanone.
What is the SMILES notation for (2-hydroxy-3-methoxy-4-methylphenyl)-phenylmethanone?
The canonical SMILES for (2-hydroxy-3-methoxy-4-methylphenyl)-phenylmethanone is COc1c(C)ccc(C(=O)c2ccccc2)c1O.
What is the InChIKey of (2-hydroxy-3-methoxy-4-methylphenyl)-phenylmethanone?
The InChIKey is OTLNDYITVZHENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-10-8-9-12(14(17)15(10)18-2)13(16)11-6-4-3-5-7-11/h3-9,17H,1-2H3.
What are the key properties of (2-hydroxy-3-methoxy-4-methylphenyl)-phenylmethanone?
(2-hydroxy-3-methoxy-4-methylphenyl)-phenylmethanone has a molecular weight of 242.27 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-methoxy-4-methylphenyl)-phenylmethanone is sourced from PubChem (CID 67125104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).