(3-cyclopentyloxy-4-methoxyphenyl)-pyridin-2-ylmethanone

C18H19NO3 — CID 54358933

IUPAC(3-cyclopentyloxy-4-methoxyphenyl)-pyridin-2-ylmethanone
SMILESCOc1ccc(C(=O)c2ccccn2)cc1OC1CCCC1
InChIInChI=1S/C18H19NO3/c1-21-16-10-9-13(18(20)15-8-4-5-11-19-15)12-17(16)22-14-6-2-3-7-14/h4-5,8-12,14H,2-3,6-7H2,1H3
InChIKeyULCFHPUJMXJDCX-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.64
Rot. Bonds5

About (3-cyclopentyloxy-4-methoxyphenyl)-pyridin-2-ylmethanone

(3-cyclopentyloxy-4-methoxyphenyl)-pyridin-2-ylmethanone (PubChem CID 54358933) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (3-cyclopentyloxy-4-methoxyphenyl)-pyridin-2-ylmethanone.

Molecular Properties

Compound Name(3-cyclopentyloxy-4-methoxyphenyl)-pyridin-2-ylmethanone
PubChem CID54358933
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(3-cyclopentyloxy-4-methoxyphenyl)-pyridin-2-ylmethanone
SMILESCOc1ccc(C(=O)c2ccccn2)cc1OC1CCCC1
InChIInChI=1S/C18H19NO3/c1-21-16-10-9-13(18(20)15-8-4-5-11-19-15)12-17(16)22-14-6-2-3-7-14/h4-5,8-12,14H,2-3,6-7H2,1H3
InChIKeyULCFHPUJMXJDCX-UHFFFAOYSA-N
XLogP3.64
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyclopentyloxy-4-methoxyphenyl)pyridine-2-carboxamide
CID 18695632
benzamide;3-cyclopentyloxy-4-methoxybenzamide
CID 18691056
(4-chloro-3-methoxyphenyl)-pyridin-2-ylmethanone
CID 79018159
2-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
CID 117376031
2-bromo-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
CID 54438505
2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-[4-(4-methylphenyl)phenyl]ethenyl]pyridine
CID 67663507
1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylbutan-1-one
CID 19892499
(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one
CID 142654604
bis[2-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]methanone
CID 67693091
2-(4-cyclopentyloxy-3-methoxyphenyl)-2-oxoacetic acid
CID 117414713
ethane;methyl 4-cyclopentyloxy-3-methoxybenzoate
CID 144796199
1-(4-cyclopentyloxy-3-methoxybenzoyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808317

Frequently Asked Questions

What is the IUPAC name of (3-cyclopentyloxy-4-methoxyphenyl)-pyridin-2-ylmethanone?
The IUPAC name of (3-cyclopentyloxy-4-methoxyphenyl)-pyridin-2-ylmethanone (CID 54358933) is (3-cyclopentyloxy-4-methoxyphenyl)-pyridin-2-ylmethanone.
What is the SMILES notation for (3-cyclopentyloxy-4-methoxyphenyl)-pyridin-2-ylmethanone?
The canonical SMILES for (3-cyclopentyloxy-4-methoxyphenyl)-pyridin-2-ylmethanone is COc1ccc(C(=O)c2ccccn2)cc1OC1CCCC1.
What is the InChIKey of (3-cyclopentyloxy-4-methoxyphenyl)-pyridin-2-ylmethanone?
The InChIKey is ULCFHPUJMXJDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-21-16-10-9-13(18(20)15-8-4-5-11-19-15)12-17(16)22-14-6-2-3-7-14/h4-5,8-12,14H,2-3,6-7H2,1H3.
What are the key properties of (3-cyclopentyloxy-4-methoxyphenyl)-pyridin-2-ylmethanone?
(3-cyclopentyloxy-4-methoxyphenyl)-pyridin-2-ylmethanone has a molecular weight of 297.35 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopentyloxy-4-methoxyphenyl)-pyridin-2-ylmethanone is sourced from PubChem (CID 54358933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).