(2-hydroxy-3,4,5,6-tetramethylphenyl)-phenylmethanone

C17H18O2 — CID 174405898

IUPAC(2-hydroxy-3,4,5,6-tetramethylphenyl)-phenylmethanone
SMILESCc1c(C)c(C)c(C(=O)c2ccccc2)c(O)c1C
InChIInChI=1S/C17H18O2/c1-10-11(2)13(4)16(18)15(12(10)3)17(19)14-8-6-5-7-9-14/h5-9,18H,1-4H3
InChIKeyVCLIATPIDUYWOC-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.86
Rot. Bonds2

About (2-hydroxy-3,4,5,6-tetramethylphenyl)-phenylmethanone

(2-hydroxy-3,4,5,6-tetramethylphenyl)-phenylmethanone (PubChem CID 174405898) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (2-hydroxy-3,4,5,6-tetramethylphenyl)-phenylmethanone.

Molecular Properties

Compound Name(2-hydroxy-3,4,5,6-tetramethylphenyl)-phenylmethanone
PubChem CID174405898
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name(2-hydroxy-3,4,5,6-tetramethylphenyl)-phenylmethanone
SMILESCc1c(C)c(C)c(C(=O)c2ccccc2)c(O)c1C
InChIInChI=1S/C17H18O2/c1-10-11(2)13(4)16(18)15(12(10)3)17(19)14-8-6-5-7-9-14/h5-9,18H,1-4H3
InChIKeyVCLIATPIDUYWOC-UHFFFAOYSA-N
XLogP3.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl-(2,3,6-trimethylphenyl)methanone
CID 14151231
diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
(4-benzoyl-2,5-dimethyl-1H-pyrrol-3-yl)-phenylmethanone
CID 86183747
[3,5-dihydroxy-4-methyl-2-(2-methylbenzoyl)phenyl]-phenylmethanone
CID 156662523
(E)-4-(2,5-dihydroxy-3,4,6-trimethylphenyl)-4-phenylbut-3-enoic acid
CID 123742286
cobalt(2+);diphenylmethanone
CID 19033779
disodium;diphenylmethanone
CID 19380838
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
diphenylmethanone;ethane;toluene
CID 157406780
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3,4,5,6-tetramethylphenyl)-phenylmethanone?
The IUPAC name of (2-hydroxy-3,4,5,6-tetramethylphenyl)-phenylmethanone (CID 174405898) is (2-hydroxy-3,4,5,6-tetramethylphenyl)-phenylmethanone.
What is the SMILES notation for (2-hydroxy-3,4,5,6-tetramethylphenyl)-phenylmethanone?
The canonical SMILES for (2-hydroxy-3,4,5,6-tetramethylphenyl)-phenylmethanone is Cc1c(C)c(C)c(C(=O)c2ccccc2)c(O)c1C.
What is the InChIKey of (2-hydroxy-3,4,5,6-tetramethylphenyl)-phenylmethanone?
The InChIKey is VCLIATPIDUYWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-10-11(2)13(4)16(18)15(12(10)3)17(19)14-8-6-5-7-9-14/h5-9,18H,1-4H3.
What are the key properties of (2-hydroxy-3,4,5,6-tetramethylphenyl)-phenylmethanone?
(2-hydroxy-3,4,5,6-tetramethylphenyl)-phenylmethanone has a molecular weight of 254.33 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3,4,5,6-tetramethylphenyl)-phenylmethanone is sourced from PubChem (CID 174405898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).