(2-tert-butyl-5-methylphenyl)-phenylmethanone

C18H20O — CID 58452150

IUPAC(2-tert-butyl-5-methylphenyl)-phenylmethanone
SMILESCc1ccc(C(C)(C)C)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C18H20O/c1-13-10-11-16(18(2,3)4)15(12-13)17(19)14-8-6-5-7-9-14/h5-12H,1-4H3
InChIKeyUEZPTJUIBUGOEO-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.52
Rot. Bonds2

About (2-tert-butyl-5-methylphenyl)-phenylmethanone

(2-tert-butyl-5-methylphenyl)-phenylmethanone (PubChem CID 58452150) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is (2-tert-butyl-5-methylphenyl)-phenylmethanone.

Molecular Properties

Compound Name(2-tert-butyl-5-methylphenyl)-phenylmethanone
PubChem CID58452150
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name(2-tert-butyl-5-methylphenyl)-phenylmethanone
SMILESCc1ccc(C(C)(C)C)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C18H20O/c1-13-10-11-16(18(2,3)4)15(12-13)17(19)14-8-6-5-7-9-14/h5-12H,1-4H3
InChIKeyUEZPTJUIBUGOEO-UHFFFAOYSA-N
XLogP4.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzoyl-5-methylbenzamide
CID 69123799
(5-methyl-2-propan-2-ylphenyl)-phenylmethanone
CID 617254
[3-(2,5-dimethylbenzoyl)phenyl]-phenylmethanone
CID 90191697
(2-iodo-4-methylphenyl)-phenylmethanone
CID 170986222
1-(2-benzoyl-5-methylphenyl)prop-2-en-1-one
CID 141351016
4-benzoyl-6-(4-methylbenzoyl)benzene-1,3-dicarboxylic acid
CID 23586588
2-benzoyl-5-(4-methylbenzoyl)terephthalic acid
CID 23586512
2-benzoyl-4-tert-butylbenzoic acid
CID 3106283
2-benzoyl-N,N-difluoro-4-methylbenzenesulfonamide
CID 172558196
2-(2-tert-butyl-5-methylphenoxy)-1-phenylethanone
CID 43426881
N-(2-benzoyl-4-methylphenyl)-2,2,2-trifluoroacetamide
CID 4702291
(3-tert-butyl-4-hydroxyphenyl)-(2,4-dimethylphenyl)methanone
CID 86189379

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-5-methylphenyl)-phenylmethanone?
The IUPAC name of (2-tert-butyl-5-methylphenyl)-phenylmethanone (CID 58452150) is (2-tert-butyl-5-methylphenyl)-phenylmethanone.
What is the SMILES notation for (2-tert-butyl-5-methylphenyl)-phenylmethanone?
The canonical SMILES for (2-tert-butyl-5-methylphenyl)-phenylmethanone is Cc1ccc(C(C)(C)C)c(C(=O)c2ccccc2)c1.
What is the InChIKey of (2-tert-butyl-5-methylphenyl)-phenylmethanone?
The InChIKey is UEZPTJUIBUGOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-13-10-11-16(18(2,3)4)15(12-13)17(19)14-8-6-5-7-9-14/h5-12H,1-4H3.
What are the key properties of (2-tert-butyl-5-methylphenyl)-phenylmethanone?
(2-tert-butyl-5-methylphenyl)-phenylmethanone has a molecular weight of 252.36 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-5-methylphenyl)-phenylmethanone is sourced from PubChem (CID 58452150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).