3-(4-cyclopropyloxyphenyl)-3-methylcyclopentan-1-one

C15H18O2 — CID 114520131

IUPAC3-(4-cyclopropyloxyphenyl)-3-methylcyclopentan-1-one
SMILESCC1(c2ccc(OC3CC3)cc2)CCC(=O)C1
InChIInChI=1S/C15H18O2/c1-15(9-8-12(16)10-15)11-2-4-13(5-3-11)17-14-6-7-14/h2-5,14H,6-10H2,1H3
InChIKeyCUTOOBXMZONRHN-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.24
Rot. Bonds3

About 3-(4-cyclopropyloxyphenyl)-3-methylcyclopentan-1-one

3-(4-cyclopropyloxyphenyl)-3-methylcyclopentan-1-one (PubChem CID 114520131) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(4-cyclopropyloxyphenyl)-3-methylcyclopentan-1-one.

Molecular Properties

Compound Name3-(4-cyclopropyloxyphenyl)-3-methylcyclopentan-1-one
PubChem CID114520131
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name3-(4-cyclopropyloxyphenyl)-3-methylcyclopentan-1-one
SMILESCC1(c2ccc(OC3CC3)cc2)CCC(=O)C1
InChIInChI=1S/C15H18O2/c1-15(9-8-12(16)10-15)11-2-4-13(5-3-11)17-14-6-7-14/h2-5,14H,6-10H2,1H3
InChIKeyCUTOOBXMZONRHN-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-1-methylcyclopentyl)-4-cyclopropyloxybenzene
CID 114520246
3-methyl-3-naphthalen-2-ylcyclopentan-1-one
CID 116538503
4-methyl-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-one
CID 142618374
4-(4-methoxyphenoxy)cyclohexan-1-one
CID 22467175
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylcyclopentan-1-one
CID 116538559
4-(4-chlorophenoxy)cyclohexan-1-one
CID 58923771
4-(4-hydroxyphenoxy)cyclohexan-1-one
CID 18359489
2-(4-cyclopentyloxyphenyl)-2-methylpyrrolidine
CID 117366157
(4-cyclopropyloxyphenyl)-(1-methylcyclohexyl)methanone
CID 106829738
3-(4-cyclopropyloxyphenyl)-1,1-dioxothiolan-3-ol
CID 114518494
3-(2-ethoxyphenyl)-3-methylcyclopentan-1-one
CID 116538437
4-(4-iodo-4-methylcyclohexyl)oxybenzaldehyde
CID 144776944

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropyloxyphenyl)-3-methylcyclopentan-1-one?
The IUPAC name of 3-(4-cyclopropyloxyphenyl)-3-methylcyclopentan-1-one (CID 114520131) is 3-(4-cyclopropyloxyphenyl)-3-methylcyclopentan-1-one.
What is the SMILES notation for 3-(4-cyclopropyloxyphenyl)-3-methylcyclopentan-1-one?
The canonical SMILES for 3-(4-cyclopropyloxyphenyl)-3-methylcyclopentan-1-one is CC1(c2ccc(OC3CC3)cc2)CCC(=O)C1.
What is the InChIKey of 3-(4-cyclopropyloxyphenyl)-3-methylcyclopentan-1-one?
The InChIKey is CUTOOBXMZONRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-15(9-8-12(16)10-15)11-2-4-13(5-3-11)17-14-6-7-14/h2-5,14H,6-10H2,1H3.
What are the key properties of 3-(4-cyclopropyloxyphenyl)-3-methylcyclopentan-1-one?
3-(4-cyclopropyloxyphenyl)-3-methylcyclopentan-1-one has a molecular weight of 230.31 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropyloxyphenyl)-3-methylcyclopentan-1-one is sourced from PubChem (CID 114520131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).