2-hydroxy-1-[6-[(4-methoxyphenyl)methyl]-5H-cyclopenta[b]pyridin-4-yl]ethanone

C18H17NO3 — CID 152841006

IUPAC2-hydroxy-1-[6-[(4-methoxyphenyl)methyl]-5H-cyclopenta[b]pyridin-4-yl]ethanone
SMILESCOc1ccc(CC2=Cc3nccc(C(=O)CO)c3C2)cc1
InChIInChI=1S/C18H17NO3/c1-22-14-4-2-12(3-5-14)8-13-9-16-15(18(21)11-20)6-7-19-17(16)10-13/h2-7,10,20H,8-9,11H2,1H3
InChIKeySYSVOFLRFFGIMB-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.45
Rot. Bonds5

About 2-hydroxy-1-[6-[(4-methoxyphenyl)methyl]-5H-cyclopenta[b]pyridin-4-yl]ethanone

2-hydroxy-1-[6-[(4-methoxyphenyl)methyl]-5H-cyclopenta[b]pyridin-4-yl]ethanone (PubChem CID 152841006) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-hydroxy-1-[6-[(4-methoxyphenyl)methyl]-5H-cyclopenta[b]pyridin-4-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[6-[(4-methoxyphenyl)methyl]-5H-cyclopenta[b]pyridin-4-yl]ethanone
PubChem CID152841006
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name2-hydroxy-1-[6-[(4-methoxyphenyl)methyl]-5H-cyclopenta[b]pyridin-4-yl]ethanone
SMILESCOc1ccc(CC2=Cc3nccc(C(=O)CO)c3C2)cc1
InChIInChI=1S/C18H17NO3/c1-22-14-4-2-12(3-5-14)8-13-9-16-15(18(21)11-20)6-7-19-17(16)10-13/h2-7,10,20H,8-9,11H2,1H3
InChIKeySYSVOFLRFFGIMB-UHFFFAOYSA-N
XLogP2.45
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-methoxyphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 146858339
1-[6-[(4-chloro-3-methylphenyl)methyl]-5H-cyclopenta[b]pyridin-4-yl]-2-isocyanoethanone
CID 157444487
6-[(4-ethylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-[(2-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;bis(methyl 6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate);6-[(2-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;tris(6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid)
CID 158052958
1-(cyclobuten-1-ylmethyl)-4-methoxybenzene
CID 101057270
4-[(4-methoxyphenyl)methyl]-2-methylpyridin-3-ol
CID 67303817
[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]methanol
CID 62748660
[2-[(4-methoxyphenyl)methyl]phenyl]-phenylmethanone
CID 14451235
[4-(hydroxymethyl)-2-pyridinyl] N-[(4-methoxyphenyl)methyl]carbamate
CID 140752895
2-[2-[(4-methoxyphenyl)methyl]phenyl]acetic acid
CID 12743493
bis[3-(4-methoxyphenyl)-3-oxopropyl]-methylazanium chloride
CID 11760996
1-[2-methoxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone
CID 22961575
6-[6-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 148917605

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[6-[(4-methoxyphenyl)methyl]-5H-cyclopenta[b]pyridin-4-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[6-[(4-methoxyphenyl)methyl]-5H-cyclopenta[b]pyridin-4-yl]ethanone (CID 152841006) is 2-hydroxy-1-[6-[(4-methoxyphenyl)methyl]-5H-cyclopenta[b]pyridin-4-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[6-[(4-methoxyphenyl)methyl]-5H-cyclopenta[b]pyridin-4-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[6-[(4-methoxyphenyl)methyl]-5H-cyclopenta[b]pyridin-4-yl]ethanone is COc1ccc(CC2=Cc3nccc(C(=O)CO)c3C2)cc1.
What is the InChIKey of 2-hydroxy-1-[6-[(4-methoxyphenyl)methyl]-5H-cyclopenta[b]pyridin-4-yl]ethanone?
The InChIKey is SYSVOFLRFFGIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-22-14-4-2-12(3-5-14)8-13-9-16-15(18(21)11-20)6-7-19-17(16)10-13/h2-7,10,20H,8-9,11H2,1H3.
What are the key properties of 2-hydroxy-1-[6-[(4-methoxyphenyl)methyl]-5H-cyclopenta[b]pyridin-4-yl]ethanone?
2-hydroxy-1-[6-[(4-methoxyphenyl)methyl]-5H-cyclopenta[b]pyridin-4-yl]ethanone has a molecular weight of 295.34 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[6-[(4-methoxyphenyl)methyl]-5H-cyclopenta[b]pyridin-4-yl]ethanone is sourced from PubChem (CID 152841006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).