(1-methoxycyclopentyl)-(4-methylphenyl)methanone

C14H18O2 — CID 104610071

IUPAC(1-methoxycyclopentyl)-(4-methylphenyl)methanone
SMILESCOC1(C(=O)c2ccc(C)cc2)CCCC1
InChIInChI=1S/C14H18O2/c1-11-5-7-12(8-6-11)13(15)14(16-2)9-3-4-10-14/h5-8H,3-4,9-10H2,1-2H3
InChIKeyRXDLTOWQENUSKN-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.14
Rot. Bonds3

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

(1-methoxycyclopentyl)-(4-methylphenyl)methanone (PubChem CID 104610071) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (1-methoxycyclopentyl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(1-methoxycyclopentyl)-(4-methylphenyl)methanone
PubChem CID104610071
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(1-methoxycyclopentyl)-(4-methylphenyl)methanone
SMILESCOC1(C(=O)c2ccc(C)cc2)CCCC1
InChIInChI=1S/C14H18O2/c1-11-5-7-12(8-6-11)13(15)14(16-2)9-3-4-10-14/h5-8H,3-4,9-10H2,1-2H3
InChIKeyRXDLTOWQENUSKN-UHFFFAOYSA-N
XLogP3.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dimethylphenyl)-(1-methoxycyclobutyl)methanone
CID 116706979
(4-tert-butylphenyl)-(1-methoxycyclohexyl)methanone
CID 116748095
(1-ethoxycyclohexyl)-(4-methylphenyl)methanone
CID 116748478
(4-tert-butylphenyl)-(1-methoxycyclobutyl)methanone
CID 116706927
(4-cyclobutylphenyl)-(1-methoxycyclopentyl)methanone
CID 116505722
(3-chloro-4-methylphenyl)-(1-methoxycyclopentyl)methanone
CID 107559939
(1-methoxycycloheptyl)-naphthalen-2-ylmethanone
CID 116750403
(1-methoxycyclohexyl)-naphthalen-2-ylmethanone
CID 116747974
(1-methoxycyclobutyl)-(6-methyl-3-pyridinyl)methanone
CID 116707015
(3-ethylphenyl)-(1-methoxycyclopentyl)methanone
CID 104610223
(1-methoxycyclopentyl)-(3-methylthiophen-2-yl)methanone
CID 104610097
(1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone
CID 116706943

Frequently Asked Questions

What is the IUPAC name of (1-methoxycyclopentyl)-(4-methylphenyl)methanone?
The IUPAC name of (1-methoxycyclopentyl)-(4-methylphenyl)methanone (CID 104610071) is (1-methoxycyclopentyl)-(4-methylphenyl)methanone.
What is the SMILES notation for (1-methoxycyclopentyl)-(4-methylphenyl)methanone?
The canonical SMILES for (1-methoxycyclopentyl)-(4-methylphenyl)methanone is COC1(C(=O)c2ccc(C)cc2)CCCC1.
What is the InChIKey of (1-methoxycyclopentyl)-(4-methylphenyl)methanone?
The InChIKey is RXDLTOWQENUSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-11-5-7-12(8-6-11)13(15)14(16-2)9-3-4-10-14/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of (1-methoxycyclopentyl)-(4-methylphenyl)methanone?
(1-methoxycyclopentyl)-(4-methylphenyl)methanone has a molecular weight of 218.30 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclopentyl)-(4-methylphenyl)methanone is sourced from PubChem (CID 104610071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).