bis(4-tert-butyl-2-cyclopropylphenyl)methanone

C27H34O — CID 140968414

IUPACbis(4-tert-butyl-2-cyclopropylphenyl)methanone
SMILESCC(C)(C)c1ccc(C(=O)c2ccc(C(C)(C)C)cc2C2CC2)c(C2CC2)c1
InChIInChI=1S/C27H34O/c1-26(2,3)19-11-13-21(23(15-19)17-7-8-17)25(28)22-14-12-20(27(4,5)6)16-24(22)18-9-10-18/h11-18H,7-10H2,1-6H3
InChIKeyIHQJQSLQXALJIW-UHFFFAOYSA-N
MW374.57 g/mol
LogP7.27
Rot. Bonds4

About bis(4-tert-butyl-2-cyclopropylphenyl)methanone

bis(4-tert-butyl-2-cyclopropylphenyl)methanone (PubChem CID 140968414) has the molecular formula C27H34O and a molecular weight of 374.57 g/mol. Its IUPAC name is bis(4-tert-butyl-2-cyclopropylphenyl)methanone.

Molecular Properties

Compound Namebis(4-tert-butyl-2-cyclopropylphenyl)methanone
PubChem CID140968414
Molecular FormulaC27H34O
Molecular Weight374.57 g/mol
Exact Mass374.26
IUPAC Namebis(4-tert-butyl-2-cyclopropylphenyl)methanone
SMILESCC(C)(C)c1ccc(C(=O)c2ccc(C(C)(C)C)cc2C2CC2)c(C2CC2)c1
InChIInChI=1S/C27H34O/c1-26(2,3)19-11-13-21(23(15-19)17-7-8-17)25(28)22-14-12-20(27(4,5)6)16-24(22)18-9-10-18/h11-18H,7-10H2,1-6H3
InChIKeyIHQJQSLQXALJIW-UHFFFAOYSA-N
XLogP7.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze bis(4-tert-butyl-2-cyclopropylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-2-(4,4-difluorocyclohexyl)benzoic acid
CID 169248981
4-tert-butyl-1-chloro-2-cyclopropylbenzene
CID 122594497
4-(5-tert-butyl-2-methylphenyl)cyclohexan-1-ol
CID 116963215
4-tert-butyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]benzoic acid
CID 66523371
N,4-ditert-butyl-2-cyclopropylaniline
CID 130287728
4-tert-butyl-2-cyclohexylphenol;methane
CID 174535578
tert-butyl 4-(5-tert-butyl-2-hydroxyphenyl)piperidine-1-carboxylate
CID 171109282
(4-tert-butyl-2-hydroxyphenyl)-(2,4-dihydroxyphenyl)methanone
CID 69457104
methyl 2-[[2-cyclopropyl-4-(trifluoromethyl)benzoyl]-methylamino]acetate
CID 169212318
[4-(4-tert-butyl-2-methylbenzoyl)cyclohexyl]phosphanide
CID 141022952
bis[2-cyclopentyl-4-(1,3-dioxolan-2-yl)phenyl]methanone
CID 73011709
N-(4-tert-butylphenyl)-3-cyclopropyl-N-methylthiophene-2-carboxamide
CID 71884129

Frequently Asked Questions

What is the IUPAC name of bis(4-tert-butyl-2-cyclopropylphenyl)methanone?
The IUPAC name of bis(4-tert-butyl-2-cyclopropylphenyl)methanone (CID 140968414) is bis(4-tert-butyl-2-cyclopropylphenyl)methanone.
What is the SMILES notation for bis(4-tert-butyl-2-cyclopropylphenyl)methanone?
The canonical SMILES for bis(4-tert-butyl-2-cyclopropylphenyl)methanone is CC(C)(C)c1ccc(C(=O)c2ccc(C(C)(C)C)cc2C2CC2)c(C2CC2)c1.
What is the InChIKey of bis(4-tert-butyl-2-cyclopropylphenyl)methanone?
The InChIKey is IHQJQSLQXALJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34O/c1-26(2,3)19-11-13-21(23(15-19)17-7-8-17)25(28)22-14-12-20(27(4,5)6)16-24(22)18-9-10-18/h11-18H,7-10H2,1-6H3.
What are the key properties of bis(4-tert-butyl-2-cyclopropylphenyl)methanone?
bis(4-tert-butyl-2-cyclopropylphenyl)methanone has a molecular weight of 374.57 g/mol, XLogP of 7.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-tert-butyl-2-cyclopropylphenyl)methanone is sourced from PubChem (CID 140968414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).