3-(3-cyclopropyloxyphenyl)-2-methylcyclopentan-1-one

C15H18O2 — CID 114522911

IUPAC3-(3-cyclopropyloxyphenyl)-2-methylcyclopentan-1-one
SMILESCC1C(=O)CCC1c1cccc(OC2CC2)c1
InChIInChI=1S/C15H18O2/c1-10-14(7-8-15(10)16)11-3-2-4-13(9-11)17-12-5-6-12/h2-4,9-10,12,14H,5-8H2,1H3
InChIKeyHTEFNBZGUZOVGP-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.31
Rot. Bonds3

About 3-(3-cyclopropyloxyphenyl)-2-methylcyclopentan-1-one

3-(3-cyclopropyloxyphenyl)-2-methylcyclopentan-1-one (PubChem CID 114522911) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(3-cyclopropyloxyphenyl)-2-methylcyclopentan-1-one.

Molecular Properties

Compound Name3-(3-cyclopropyloxyphenyl)-2-methylcyclopentan-1-one
PubChem CID114522911
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name3-(3-cyclopropyloxyphenyl)-2-methylcyclopentan-1-one
SMILESCC1C(=O)CCC1c1cccc(OC2CC2)c1
InChIInChI=1S/C15H18O2/c1-10-14(7-8-15(10)16)11-3-2-4-13(9-11)17-12-5-6-12/h2-4,9-10,12,14H,5-8H2,1H3
InChIKeyHTEFNBZGUZOVGP-UHFFFAOYSA-N
XLogP3.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluorophenyl)-2-methylcyclopentan-1-one
CID 64910252
2-methyl-3-phenylcyclopentan-1-one
CID 12573116
1-(3-chloro-2-methylcyclopentyl)-3-cyclopropyloxybenzene
CID 114523108
3-(3-ethoxyphenyl)-2-methylcyclobutan-1-one
CID 81414960
1-fluoro-3-(4-methylcyclohexyl)oxybenzene
CID 64764366
4-(3-cyclopropyloxyphenyl)-2-methylpiperidine
CID 114522847
(2R)-2-(3-methoxyphenyl)cyclobutan-1-one
CID 129415891
4-(3-fluorophenoxy)cyclohexan-1-one
CID 83702247
[2-(3-cyclopropyloxyphenyl)cycloheptyl]methanamine
CID 114523516
2-(3-cyclopropyloxyphenyl)-4-propylcyclohexan-1-amine
CID 114523496
3-(2-fluoro-3-methoxyphenyl)-2-methylcyclopentan-1-one
CID 82811035
3-(3-fluorophenyl)-2-methylcyclobutan-1-one
CID 81416508

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyloxyphenyl)-2-methylcyclopentan-1-one?
The IUPAC name of 3-(3-cyclopropyloxyphenyl)-2-methylcyclopentan-1-one (CID 114522911) is 3-(3-cyclopropyloxyphenyl)-2-methylcyclopentan-1-one.
What is the SMILES notation for 3-(3-cyclopropyloxyphenyl)-2-methylcyclopentan-1-one?
The canonical SMILES for 3-(3-cyclopropyloxyphenyl)-2-methylcyclopentan-1-one is CC1C(=O)CCC1c1cccc(OC2CC2)c1.
What is the InChIKey of 3-(3-cyclopropyloxyphenyl)-2-methylcyclopentan-1-one?
The InChIKey is HTEFNBZGUZOVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-10-14(7-8-15(10)16)11-3-2-4-13(9-11)17-12-5-6-12/h2-4,9-10,12,14H,5-8H2,1H3.
What are the key properties of 3-(3-cyclopropyloxyphenyl)-2-methylcyclopentan-1-one?
3-(3-cyclopropyloxyphenyl)-2-methylcyclopentan-1-one has a molecular weight of 230.31 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyloxyphenyl)-2-methylcyclopentan-1-one is sourced from PubChem (CID 114522911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).