(2-hydroxy-5-methoxy-4-methylphenyl)-phenylmethanone;methane

C16H18O3 — CID 175255493

IUPAC(2-hydroxy-5-methoxy-4-methylphenyl)-phenylmethanone;methane
SMILESC.COc1cc(C(=O)c2ccccc2)c(O)cc1C
InChIInChI=1S/C15H14O3.CH4/c1-10-8-13(16)12(9-14(10)18-2)15(17)11-6-4-3-5-7-11;/h3-9,16H,1-2H3;1H4
InChIKeyQOFQCINGSOHQMH-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.58
Rot. Bonds3

About (2-hydroxy-5-methoxy-4-methylphenyl)-phenylmethanone;methane

(2-hydroxy-5-methoxy-4-methylphenyl)-phenylmethanone;methane (PubChem CID 175255493) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is (2-hydroxy-5-methoxy-4-methylphenyl)-phenylmethanone;methane.

Molecular Properties

Compound Name(2-hydroxy-5-methoxy-4-methylphenyl)-phenylmethanone;methane
PubChem CID175255493
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name(2-hydroxy-5-methoxy-4-methylphenyl)-phenylmethanone;methane
SMILESC.COc1cc(C(=O)c2ccccc2)c(O)cc1C
InChIInChI=1S/C15H14O3.CH4/c1-10-8-13(16)12(9-14(10)18-2)15(17)11-6-4-3-5-7-11;/h3-9,16H,1-2H3;1H4
InChIKeyQOFQCINGSOHQMH-UHFFFAOYSA-N
XLogP3.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid
CID 87073687
[5-[(5-benzoyl-4-hydroxy-2-methoxyphenyl)-[bis(5-benzoyl-4-hydroxy-2-methoxyphenyl)methylperoxy]methyl]-2-hydroxy-4-methoxyphenyl]-phenylmethanone
CID 139830440
5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid
CID 19988
(2-hydroxy-3,5-dimethoxy-4-methylphenyl)-phenylmethanone
CID 174443655
5-benzoyl-4-hydroxy-2-methoxybenzenesulfonyl chloride
CID 19995129
(4-hydroxy-2,5-dimethylphenyl)-phenylmethanone
CID 19026877
CID 175499515
CID 175499515
CID 172864174
CID 172864174
(2-hydroxy-4-methyl-5-phenyldiazenylphenyl)-phenylmethanone
CID 3578467
(2-hydroxy-5-methoxy-3,4-diphenylphenyl)-phenylmethanone
CID 10948907
but-2-enedioic acid;[2-hydroxy-5-(hydroxymethyl)-4-methoxyphenyl]-phenylmethanone
CID 70542201
1-(2-hydroxy-5-methoxy-4-methylphenyl)-3-phenylsulfanylpropan-1-one
CID 56957684

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-methoxy-4-methylphenyl)-phenylmethanone;methane?
The IUPAC name of (2-hydroxy-5-methoxy-4-methylphenyl)-phenylmethanone;methane (CID 175255493) is (2-hydroxy-5-methoxy-4-methylphenyl)-phenylmethanone;methane.
What is the SMILES notation for (2-hydroxy-5-methoxy-4-methylphenyl)-phenylmethanone;methane?
The canonical SMILES for (2-hydroxy-5-methoxy-4-methylphenyl)-phenylmethanone;methane is C.COc1cc(C(=O)c2ccccc2)c(O)cc1C.
What is the InChIKey of (2-hydroxy-5-methoxy-4-methylphenyl)-phenylmethanone;methane?
The InChIKey is QOFQCINGSOHQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3.CH4/c1-10-8-13(16)12(9-14(10)18-2)15(17)11-6-4-3-5-7-11;/h3-9,16H,1-2H3;1H4.
What are the key properties of (2-hydroxy-5-methoxy-4-methylphenyl)-phenylmethanone;methane?
(2-hydroxy-5-methoxy-4-methylphenyl)-phenylmethanone;methane has a molecular weight of 258.32 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-methoxy-4-methylphenyl)-phenylmethanone;methane is sourced from PubChem (CID 175255493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).