[3,5-dihydroxy-4-methyl-2-(2-methylbenzoyl)phenyl]-phenylmethanone

C22H18O4 — CID 156662523

IUPAC[3,5-dihydroxy-4-methyl-2-(2-methylbenzoyl)phenyl]-phenylmethanone
SMILESCc1ccccc1C(=O)c1c(C(=O)c2ccccc2)cc(O)c(C)c1O
InChIInChI=1S/C22H18O4/c1-13-8-6-7-11-16(13)22(26)19-17(12-18(23)14(2)20(19)24)21(25)15-9-4-3-5-10-15/h3-12,23-24H,1-2H3
InChIKeyGIRKCNOGTKHUGZ-UHFFFAOYSA-N
MW346.38 g/mol
LogP4.18
Rot. Bonds4

About [3,5-dihydroxy-4-methyl-2-(2-methylbenzoyl)phenyl]-phenylmethanone

[3,5-dihydroxy-4-methyl-2-(2-methylbenzoyl)phenyl]-phenylmethanone (PubChem CID 156662523) has the molecular formula C22H18O4 and a molecular weight of 346.38 g/mol. Its IUPAC name is [3,5-dihydroxy-4-methyl-2-(2-methylbenzoyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[3,5-dihydroxy-4-methyl-2-(2-methylbenzoyl)phenyl]-phenylmethanone
PubChem CID156662523
Molecular FormulaC22H18O4
Molecular Weight346.38 g/mol
Exact Mass346.12
IUPAC Name[3,5-dihydroxy-4-methyl-2-(2-methylbenzoyl)phenyl]-phenylmethanone
SMILESCc1ccccc1C(=O)c1c(C(=O)c2ccccc2)cc(O)c(C)c1O
InChIInChI=1S/C22H18O4/c1-13-8-6-7-11-16(13)22(26)19-17(12-18(23)14(2)20(19)24)21(25)15-9-4-3-5-10-15/h3-12,23-24H,1-2H3
InChIKeyGIRKCNOGTKHUGZ-UHFFFAOYSA-N
XLogP4.18
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-hydroxyphenyl)-(2-methylphenyl)methanone
CID 68613493
(6-hydroxy-2,3-dimethylphenyl)-(2-methylphenyl)methanone
CID 21484562
(2-methylphenyl)-phenylmethanone;1-phenylpropan-1-one
CID 175125540
1-aminopropan-2-one;(2-methylphenyl)-phenylmethanone
CID 143285715
(2-methylphenyl)-(4-methylphenyl)methanone
CID 6613295
(2-hydroxy-3,4,5,6-tetramethylphenyl)-phenylmethanone
CID 174405898
(4-hydroxy-2,5-dimethylphenyl)-phenylmethanone
CID 19026877
ethane;(2-hydroxyphenyl)-phenylmethanone;methoxymethane
CID 91515590
4-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol;(2-hydroxyphenyl)-phenylmethanone
CID 19894441
(2-methylphenyl)-pyridin-4-ylmethanone
CID 19957162
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
4-(2-methylbenzoyl)phthalic acid
CID 22362607

Frequently Asked Questions

What is the IUPAC name of [3,5-dihydroxy-4-methyl-2-(2-methylbenzoyl)phenyl]-phenylmethanone?
The IUPAC name of [3,5-dihydroxy-4-methyl-2-(2-methylbenzoyl)phenyl]-phenylmethanone (CID 156662523) is [3,5-dihydroxy-4-methyl-2-(2-methylbenzoyl)phenyl]-phenylmethanone.
What is the SMILES notation for [3,5-dihydroxy-4-methyl-2-(2-methylbenzoyl)phenyl]-phenylmethanone?
The canonical SMILES for [3,5-dihydroxy-4-methyl-2-(2-methylbenzoyl)phenyl]-phenylmethanone is Cc1ccccc1C(=O)c1c(C(=O)c2ccccc2)cc(O)c(C)c1O.
What is the InChIKey of [3,5-dihydroxy-4-methyl-2-(2-methylbenzoyl)phenyl]-phenylmethanone?
The InChIKey is GIRKCNOGTKHUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O4/c1-13-8-6-7-11-16(13)22(26)19-17(12-18(23)14(2)20(19)24)21(25)15-9-4-3-5-10-15/h3-12,23-24H,1-2H3.
What are the key properties of [3,5-dihydroxy-4-methyl-2-(2-methylbenzoyl)phenyl]-phenylmethanone?
[3,5-dihydroxy-4-methyl-2-(2-methylbenzoyl)phenyl]-phenylmethanone has a molecular weight of 346.38 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dihydroxy-4-methyl-2-(2-methylbenzoyl)phenyl]-phenylmethanone is sourced from PubChem (CID 156662523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).