2-(3-hexyl-5-methoxyphenyl)cyclopentan-1-one

C18H26O2 — CID 19856452

IUPAC2-(3-hexyl-5-methoxyphenyl)cyclopentan-1-one
SMILESCCCCCCc1cc(OC)cc(C2CCCC2=O)c1
InChIInChI=1S/C18H26O2/c1-3-4-5-6-8-14-11-15(13-16(12-14)20-2)17-9-7-10-18(17)19/h11-13,17H,3-10H2,1-2H3
InChIKeyKKHQQHHVZJEXRI-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.65
Rot. Bonds7

About 2-(3-hexyl-5-methoxyphenyl)cyclopentan-1-one

2-(3-hexyl-5-methoxyphenyl)cyclopentan-1-one (PubChem CID 19856452) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 2-(3-hexyl-5-methoxyphenyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(3-hexyl-5-methoxyphenyl)cyclopentan-1-one
PubChem CID19856452
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name2-(3-hexyl-5-methoxyphenyl)cyclopentan-1-one
SMILESCCCCCCc1cc(OC)cc(C2CCCC2=O)c1
InChIInChI=1S/C18H26O2/c1-3-4-5-6-8-14-11-15(13-16(12-14)20-2)17-9-7-10-18(17)19/h11-13,17H,3-10H2,1-2H3
InChIKeyKKHQQHHVZJEXRI-UHFFFAOYSA-N
XLogP4.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butyl-3,5-dimethoxybenzene
CID 524875
1,3-dimethoxy-5-pentylbenzene;5-pentylbenzene-1,3-diol
CID 162222442
1-methoxy-3-nonadecylbenzene
CID 154507578
2-(7-propylnaphthalen-2-yl)cyclopentan-1-one
CID 58610322
2-(2-nonylphenyl)cyclohexan-1-one
CID 67726706
1,3-dimethoxy-5-(5,5,5-trideuteriopentyl)benzene
CID 11769782
trans-(2R,3R)-3-butyl-2-(4-methoxyphenyl)cyclohexan-1-one
CID 134968216
3-butyl-5-methoxyphenol
CID 12836529
(2R)-2-(3-methoxyphenyl)cyclobutan-1-one
CID 129415891
2-[4-(4-propylphenyl)phenyl]cyclohexan-1-one
CID 22915889
1,3-dimethoxy-5-non-8-ynylbenzene
CID 10978220
5-methyl-2-(4-pentylphenyl)cyclohexan-1-one
CID 23041298

Frequently Asked Questions

What is the IUPAC name of 2-(3-hexyl-5-methoxyphenyl)cyclopentan-1-one?
The IUPAC name of 2-(3-hexyl-5-methoxyphenyl)cyclopentan-1-one (CID 19856452) is 2-(3-hexyl-5-methoxyphenyl)cyclopentan-1-one.
What is the SMILES notation for 2-(3-hexyl-5-methoxyphenyl)cyclopentan-1-one?
The canonical SMILES for 2-(3-hexyl-5-methoxyphenyl)cyclopentan-1-one is CCCCCCc1cc(OC)cc(C2CCCC2=O)c1.
What is the InChIKey of 2-(3-hexyl-5-methoxyphenyl)cyclopentan-1-one?
The InChIKey is KKHQQHHVZJEXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-3-4-5-6-8-14-11-15(13-16(12-14)20-2)17-9-7-10-18(17)19/h11-13,17H,3-10H2,1-2H3.
What are the key properties of 2-(3-hexyl-5-methoxyphenyl)cyclopentan-1-one?
2-(3-hexyl-5-methoxyphenyl)cyclopentan-1-one has a molecular weight of 274.40 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hexyl-5-methoxyphenyl)cyclopentan-1-one is sourced from PubChem (CID 19856452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).