(3,4-dihydroxy-5-methylphenyl)-(4-methylphenyl)methanone

C15H14O3 — CID 129087324

IUPAC(3,4-dihydroxy-5-methylphenyl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc(C)c(O)c(O)c2)cc1
InChIInChI=1S/C15H14O3/c1-9-3-5-11(6-4-9)15(18)12-7-10(2)14(17)13(16)8-12/h3-8,16-17H,1-2H3
InChIKeyAPKUYIPVLGWJMV-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.95
Rot. Bonds2

About (3,4-dihydroxy-5-methylphenyl)-(4-methylphenyl)methanone

(3,4-dihydroxy-5-methylphenyl)-(4-methylphenyl)methanone (PubChem CID 129087324) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is (3,4-dihydroxy-5-methylphenyl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(3,4-dihydroxy-5-methylphenyl)-(4-methylphenyl)methanone
PubChem CID129087324
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name(3,4-dihydroxy-5-methylphenyl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc(C)c(O)c(O)c2)cc1
InChIInChI=1S/C15H14O3/c1-9-3-5-11(6-4-9)15(18)12-7-10(2)14(17)13(16)8-12/h3-8,16-17H,1-2H3
InChIKeyAPKUYIPVLGWJMV-UHFFFAOYSA-N
XLogP2.95
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-4,5-dihydroxyphenyl)-(4-methylphenyl)methanone
CID 150034437
bis(4-hydroxy-3,5-dimethylphenyl)methanone;bis(4-hydroxyphenyl)methanone
CID 159747693
(3,4-dimethylphenyl)-(4-methylphenyl)methanone;1,2,4,5-tetramethylbenzene
CID 159278284
(2-hydroxy-3,5-dimethylphenyl)-(4-methylphenyl)methanone
CID 13251027
(2,5-dihydroxypyrrol-1-yl) 2,3-dihydroxy-5-(4-methylbenzoyl)benzoate
CID 90938997
(6-chloro-2,3,4-trihydroxyphenyl)-(4-methylphenyl)methanone
CID 166522827
(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methanone
CID 19890098
[3,5-bis(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 118357502
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
3,4,5-trihydroxy-N'-(4-methylphenyl)benzohydrazide
CID 175951204
(4-fluoro-3-methylphenyl)-(4-hydroxyphenyl)methanone
CID 82081761
[4-[(4-methylphenyl)methylamino]phenyl]-(3,4,5-trimethylphenyl)methanone
CID 59551612

Frequently Asked Questions

What is the IUPAC name of (3,4-dihydroxy-5-methylphenyl)-(4-methylphenyl)methanone?
The IUPAC name of (3,4-dihydroxy-5-methylphenyl)-(4-methylphenyl)methanone (CID 129087324) is (3,4-dihydroxy-5-methylphenyl)-(4-methylphenyl)methanone.
What is the SMILES notation for (3,4-dihydroxy-5-methylphenyl)-(4-methylphenyl)methanone?
The canonical SMILES for (3,4-dihydroxy-5-methylphenyl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2cc(C)c(O)c(O)c2)cc1.
What is the InChIKey of (3,4-dihydroxy-5-methylphenyl)-(4-methylphenyl)methanone?
The InChIKey is APKUYIPVLGWJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-9-3-5-11(6-4-9)15(18)12-7-10(2)14(17)13(16)8-12/h3-8,16-17H,1-2H3.
What are the key properties of (3,4-dihydroxy-5-methylphenyl)-(4-methylphenyl)methanone?
(3,4-dihydroxy-5-methylphenyl)-(4-methylphenyl)methanone has a molecular weight of 242.27 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dihydroxy-5-methylphenyl)-(4-methylphenyl)methanone is sourced from PubChem (CID 129087324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).