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

C17H24O3 — CID 19892499

IUPAC1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylbutan-1-one
SMILESCOc1ccc(C(=O)CC(C)C)cc1OC1CCCC1
InChIInChI=1S/C17H24O3/c1-12(2)10-15(18)13-8-9-16(19-3)17(11-13)20-14-6-4-5-7-14/h8-9,11-12,14H,4-7,10H2,1-3H3
InChIKeySEVDDOQCAVWKNH-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.25
Rot. Bonds6

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

1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylbutan-1-one (PubChem CID 19892499) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylbutan-1-one
PubChem CID19892499
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylbutan-1-one
SMILESCOc1ccc(C(=O)CC(C)C)cc1OC1CCCC1
InChIInChI=1S/C17H24O3/c1-12(2)10-15(18)13-8-9-16(19-3)17(11-13)20-14-6-4-5-7-14/h8-9,11-12,14H,4-7,10H2,1-3H3
InChIKeySEVDDOQCAVWKNH-UHFFFAOYSA-N
XLogP4.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
CID 117376031
2-bromo-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
CID 54438505
2-[butan-2-yl-(3-cyclopentyloxy-4-methoxybenzoyl)amino]acetic acid
CID 120529887
benzamide;3-cyclopentyloxy-4-methoxybenzamide
CID 18691056
[1-(3-cyclopentyloxy-4-methoxyphenyl)ethenylamino] methyl carbonate
CID 57237577
1-(3-chloro-4-methoxyphenyl)-3-methylbutan-1-one
CID 43161730
1-(3-bromo-4-methoxyphenyl)-3-methylbutan-1-one
CID 43161769
2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)ethanone
CID 82102039
2-(4-cyclopentyloxy-3-methoxyphenyl)-2-oxoacetic acid
CID 117414713
2-(3-cyclobutyloxy-4-methoxyphenyl)propanoic acid
CID 117378818
ethane;methyl 4-cyclopentyloxy-3-methoxybenzoate
CID 144796199
1-(4-methoxy-3-pyrrolidin-1-ylphenyl)-3-methylbutan-1-one
CID 94274092

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylbutan-1-one?
The IUPAC name of 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylbutan-1-one (CID 19892499) is 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylbutan-1-one.
What is the SMILES notation for 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylbutan-1-one?
The canonical SMILES for 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylbutan-1-one is COc1ccc(C(=O)CC(C)C)cc1OC1CCCC1.
What is the InChIKey of 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylbutan-1-one?
The InChIKey is SEVDDOQCAVWKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-12(2)10-15(18)13-8-9-16(19-3)17(11-13)20-14-6-4-5-7-14/h8-9,11-12,14H,4-7,10H2,1-3H3.
What are the key properties of 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylbutan-1-one?
1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylbutan-1-one has a molecular weight of 276.38 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylbutan-1-one is sourced from PubChem (CID 19892499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).