(3-tert-butylphenyl)-cyclopentylmethanone

C16H22O — CID 146005494

IUPAC(3-tert-butylphenyl)-cyclopentylmethanone
SMILESCC(C)(C)c1cccc(C(=O)C2CCCC2)c1
InChIInChI=1S/C16H22O/c1-16(2,3)14-10-6-9-13(11-14)15(17)12-7-4-5-8-12/h6,9-12H,4-5,7-8H2,1-3H3
InChIKeyREYMNXBBCHNMTA-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.36
Rot. Bonds2

About (3-tert-butylphenyl)-cyclopentylmethanone

(3-tert-butylphenyl)-cyclopentylmethanone (PubChem CID 146005494) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is (3-tert-butylphenyl)-cyclopentylmethanone.

Molecular Properties

Compound Name(3-tert-butylphenyl)-cyclopentylmethanone
PubChem CID146005494
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name(3-tert-butylphenyl)-cyclopentylmethanone
SMILESCC(C)(C)c1cccc(C(=O)C2CCCC2)c1
InChIInChI=1S/C16H22O/c1-16(2,3)14-10-6-9-13(11-14)15(17)12-7-4-5-8-12/h6,9-12H,4-5,7-8H2,1-3H3
InChIKeyREYMNXBBCHNMTA-UHFFFAOYSA-N
XLogP4.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-tert-butylphenyl)-(oxetan-3-yl)methanone
CID 154625956
cyclohexyl-(3,4-ditert-butylphenyl)methanone
CID 86188783
cycloheptyl-(3-methoxyphenyl)methanone
CID 65399617
cyclopentyl-[3-(methylamino)phenyl]methanone
CID 116917362
cyclohexyl-(3-fluorophenyl)methanone
CID 24724195
cyclohexyl-(3-methylsulfanylphenyl)methanone
CID 146007628
[3-(cyclohexanecarbonyl)phenyl] acetate
CID 146010619
3-(cyclobutanecarbonyl)benzoyl chloride
CID 123709690
3-tert-butyl-N-cyclopropylbenzamide
CID 59732225
ethyl 3-(cyclopentanecarbonyl)benzoate
CID 24724160
cyclooctyl-(3-cyclopropyloxyphenyl)methanone
CID 114521228
cyclohexyl(phenyl)methanone;molecular hydrogen
CID 143135360

Frequently Asked Questions

What is the IUPAC name of (3-tert-butylphenyl)-cyclopentylmethanone?
The IUPAC name of (3-tert-butylphenyl)-cyclopentylmethanone (CID 146005494) is (3-tert-butylphenyl)-cyclopentylmethanone.
What is the SMILES notation for (3-tert-butylphenyl)-cyclopentylmethanone?
The canonical SMILES for (3-tert-butylphenyl)-cyclopentylmethanone is CC(C)(C)c1cccc(C(=O)C2CCCC2)c1.
What is the InChIKey of (3-tert-butylphenyl)-cyclopentylmethanone?
The InChIKey is REYMNXBBCHNMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-16(2,3)14-10-6-9-13(11-14)15(17)12-7-4-5-8-12/h6,9-12H,4-5,7-8H2,1-3H3.
What are the key properties of (3-tert-butylphenyl)-cyclopentylmethanone?
(3-tert-butylphenyl)-cyclopentylmethanone has a molecular weight of 230.35 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butylphenyl)-cyclopentylmethanone is sourced from PubChem (CID 146005494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).