4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexan-1-one

C18H24O3 — CID 10589452

IUPAC4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexan-1-one
SMILESCOc1ccc(C2CCC(=O)CC2)cc1OC1CCCC1
InChIInChI=1S/C18H24O3/c1-20-17-11-8-14(13-6-9-15(19)10-7-13)12-18(17)21-16-4-2-3-5-16/h8,11-13,16H,2-7,9-10H2,1H3
InChIKeyLPZMRVKAJJEVKM-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.24
Rot. Bonds4

About 4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexan-1-one

4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexan-1-one (PubChem CID 10589452) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexan-1-one
PubChem CID10589452
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexan-1-one
SMILESCOc1ccc(C2CCC(=O)CC2)cc1OC1CCCC1
InChIInChI=1S/C18H24O3/c1-20-17-11-8-14(13-6-9-15(19)10-7-13)12-18(17)21-16-4-2-3-5-16/h8,11-13,16H,2-7,9-10H2,1H3
InChIKeyLPZMRVKAJJEVKM-UHFFFAOYSA-N
XLogP4.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexan-1-one?
The IUPAC name of 4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexan-1-one (CID 10589452) is 4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexan-1-one.
What is the SMILES notation for 4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexan-1-one?
The canonical SMILES for 4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexan-1-one is COc1ccc(C2CCC(=O)CC2)cc1OC1CCCC1.
What is the InChIKey of 4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexan-1-one?
The InChIKey is LPZMRVKAJJEVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c1-20-17-11-8-14(13-6-9-15(19)10-7-13)12-18(17)21-16-4-2-3-5-16/h8,11-13,16H,2-7,9-10H2,1H3.
What are the key properties of 4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexan-1-one?
4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexan-1-one has a molecular weight of 288.39 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexan-1-one is sourced from PubChem (CID 10589452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).