(4-cyclobutylphenyl)-(1-methoxycyclopentyl)methanone

C17H22O2 — CID 116505722

IUPAC(4-cyclobutylphenyl)-(1-methoxycyclopentyl)methanone
SMILESCOC1(C(=O)c2ccc(C3CCC3)cc2)CCCC1
InChIInChI=1S/C17H22O2/c1-19-17(11-2-3-12-17)16(18)15-9-7-14(8-10-15)13-5-4-6-13/h7-10,13H,2-6,11-12H2,1H3
InChIKeyORLOMQOTYYHBMV-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.10
Rot. Bonds4

About (4-cyclobutylphenyl)-(1-methoxycyclopentyl)methanone

(4-cyclobutylphenyl)-(1-methoxycyclopentyl)methanone (PubChem CID 116505722) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is (4-cyclobutylphenyl)-(1-methoxycyclopentyl)methanone.

Molecular Properties

Compound Name(4-cyclobutylphenyl)-(1-methoxycyclopentyl)methanone
PubChem CID116505722
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name(4-cyclobutylphenyl)-(1-methoxycyclopentyl)methanone
SMILESCOC1(C(=O)c2ccc(C3CCC3)cc2)CCCC1
InChIInChI=1S/C17H22O2/c1-19-17(11-2-3-12-17)16(18)15-9-7-14(8-10-15)13-5-4-6-13/h7-10,13H,2-6,11-12H2,1H3
InChIKeyORLOMQOTYYHBMV-UHFFFAOYSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-cyclobutylphenyl)-(1-methoxy-3-methylcyclohexyl)methanone
CID 116749559
(3-cyclobutylphenyl)-(1-methoxycycloheptyl)methanone
CID 114602144
(1-methoxycyclopentyl)-(4-methylphenyl)methanone
CID 104610071
(4-tert-butylphenyl)-(1-methoxycyclohexyl)methanone
CID 116748095
(4-tert-butylphenyl)-(1-methoxycyclobutyl)methanone
CID 116706927
(1-methoxycyclohexyl)-naphthalen-2-ylmethanone
CID 116747974
(1-methoxycycloheptyl)-naphthalen-2-ylmethanone
CID 116750403
(4-ethylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone
CID 116749233
(3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanone
CID 114521285
(3-chloro-4-methylphenyl)-(1-methoxycyclopentyl)methanone
CID 107559939
(3,5-dimethylphenyl)-(1-methoxycyclobutyl)methanone
CID 116706979
(4-cyclobutylphenyl)-(3-propylpyrrolidin-3-yl)methanone
CID 116570705

Frequently Asked Questions

What is the IUPAC name of (4-cyclobutylphenyl)-(1-methoxycyclopentyl)methanone?
The IUPAC name of (4-cyclobutylphenyl)-(1-methoxycyclopentyl)methanone (CID 116505722) is (4-cyclobutylphenyl)-(1-methoxycyclopentyl)methanone.
What is the SMILES notation for (4-cyclobutylphenyl)-(1-methoxycyclopentyl)methanone?
The canonical SMILES for (4-cyclobutylphenyl)-(1-methoxycyclopentyl)methanone is COC1(C(=O)c2ccc(C3CCC3)cc2)CCCC1.
What is the InChIKey of (4-cyclobutylphenyl)-(1-methoxycyclopentyl)methanone?
The InChIKey is ORLOMQOTYYHBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-19-17(11-2-3-12-17)16(18)15-9-7-14(8-10-15)13-5-4-6-13/h7-10,13H,2-6,11-12H2,1H3.
What are the key properties of (4-cyclobutylphenyl)-(1-methoxycyclopentyl)methanone?
(4-cyclobutylphenyl)-(1-methoxycyclopentyl)methanone has a molecular weight of 258.36 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutylphenyl)-(1-methoxycyclopentyl)methanone is sourced from PubChem (CID 116505722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).