4-[2-cyclohexyloxy-5-[(4-methoxyphenyl)methoxy]phenyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one

C29H31NO4 — CID 165100828

IUPAC4-[2-cyclohexyloxy-5-[(4-methoxyphenyl)methoxy]phenyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one
SMILESCOc1ccc(COc2ccc(OC3CCCCC3)c(-c3cn(C)c(=O)c4c3C=CC4)c2)cc1
InChIInChI=1S/C29H31NO4/c1-30-18-27(24-9-6-10-25(24)29(30)31)26-17-23(33-19-20-11-13-21(32-2)14-12-20)15-16-28(26)34-22-7-4-3-5-8-22/h6,9,11-18,22H,3-5,7-8,10,19H2,1-2H3
InChIKeyYHEPWLZOAHHKSF-UHFFFAOYSA-N
MW457.57 g/mol
LogP5.92
Rot. Bonds7

About 4-[2-cyclohexyloxy-5-[(4-methoxyphenyl)methoxy]phenyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one

4-[2-cyclohexyloxy-5-[(4-methoxyphenyl)methoxy]phenyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one (PubChem CID 165100828) has the molecular formula C29H31NO4 and a molecular weight of 457.57 g/mol. Its IUPAC name is 4-[2-cyclohexyloxy-5-[(4-methoxyphenyl)methoxy]phenyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one.

Molecular Properties

Compound Name4-[2-cyclohexyloxy-5-[(4-methoxyphenyl)methoxy]phenyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one
PubChem CID165100828
Molecular FormulaC29H31NO4
Molecular Weight457.57 g/mol
Exact Mass457.23
IUPAC Name4-[2-cyclohexyloxy-5-[(4-methoxyphenyl)methoxy]phenyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one
SMILESCOc1ccc(COc2ccc(OC3CCCCC3)c(-c3cn(C)c(=O)c4c3C=CC4)c2)cc1
InChIInChI=1S/C29H31NO4/c1-30-18-27(24-9-6-10-25(24)29(30)31)26-17-23(33-19-20-11-13-21(32-2)14-12-20)15-16-28(26)34-22-7-4-3-5-8-22/h6,9,11-18,22H,3-5,7-8,10,19H2,1-2H3
InChIKeyYHEPWLZOAHHKSF-UHFFFAOYSA-N
XLogP5.92
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.57
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[2-cyclohexyloxy-5-[(4-methoxyphenyl)methoxy]phenyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one with MolForge

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Related Compounds

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4-(2-cyclohexyloxy-5-methylsulfanylphenyl)-2-methylisoquinolin-1-one
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CID 54107064
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CID 10768631
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CID 87615692
5-(2-cyclopentyloxy-5-methylsulfonylphenyl)-1,3-dimethylpyridin-2-one
CID 118022252
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CID 139334388
2-(3-cyclopentyloxy-4-methoxyphenyl)-2-[(1-oxidopyridin-1-ium-4-yl)methyl]-5-phenylmethoxyindene-1,3-dione
CID 67637368
[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
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N-[(2-cyclopentyloxy-5-methoxyphenyl)methyl]cyclopropanamine
CID 43276489

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclohexyloxy-5-[(4-methoxyphenyl)methoxy]phenyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one?
The IUPAC name of 4-[2-cyclohexyloxy-5-[(4-methoxyphenyl)methoxy]phenyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one (CID 165100828) is 4-[2-cyclohexyloxy-5-[(4-methoxyphenyl)methoxy]phenyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one.
What is the SMILES notation for 4-[2-cyclohexyloxy-5-[(4-methoxyphenyl)methoxy]phenyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one?
The canonical SMILES for 4-[2-cyclohexyloxy-5-[(4-methoxyphenyl)methoxy]phenyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one is COc1ccc(COc2ccc(OC3CCCCC3)c(-c3cn(C)c(=O)c4c3C=CC4)c2)cc1.
What is the InChIKey of 4-[2-cyclohexyloxy-5-[(4-methoxyphenyl)methoxy]phenyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one?
The InChIKey is YHEPWLZOAHHKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31NO4/c1-30-18-27(24-9-6-10-25(24)29(30)31)26-17-23(33-19-20-11-13-21(32-2)14-12-20)15-16-28(26)34-22-7-4-3-5-8-22/h6,9,11-18,22H,3-5,7-8,10,19H2,1-2H3.
What are the key properties of 4-[2-cyclohexyloxy-5-[(4-methoxyphenyl)methoxy]phenyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one?
4-[2-cyclohexyloxy-5-[(4-methoxyphenyl)methoxy]phenyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one has a molecular weight of 457.57 g/mol, XLogP of 5.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclohexyloxy-5-[(4-methoxyphenyl)methoxy]phenyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one is sourced from PubChem (CID 165100828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).