(2-chloro-5-hydroxyphenyl)-(2-cyclopentylpyrrolidin-1-yl)methanone

C16H20ClNO2 — CID 106501693

IUPAC(2-chloro-5-hydroxyphenyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
SMILESO=C(c1cc(O)ccc1Cl)N1CCCC1C1CCCC1
InChIInChI=1S/C16H20ClNO2/c17-14-8-7-12(19)10-13(14)16(20)18-9-3-6-15(18)11-4-1-2-5-11/h7-8,10-11,15,19H,1-6,9H2
InChIKeyAQJOHRPYENGIHR-UHFFFAOYSA-N
MW293.79 g/mol
LogP3.84
Rot. Bonds2

About (2-chloro-5-hydroxyphenyl)-(2-cyclopentylpyrrolidin-1-yl)methanone

(2-chloro-5-hydroxyphenyl)-(2-cyclopentylpyrrolidin-1-yl)methanone (PubChem CID 106501693) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is (2-chloro-5-hydroxyphenyl)-(2-cyclopentylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-5-hydroxyphenyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
PubChem CID106501693
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name(2-chloro-5-hydroxyphenyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
SMILESO=C(c1cc(O)ccc1Cl)N1CCCC1C1CCCC1
InChIInChI=1S/C16H20ClNO2/c17-14-8-7-12(19)10-13(14)16(20)18-9-3-6-15(18)11-4-1-2-5-11/h7-8,10-11,15,19H,1-6,9H2
InChIKeyAQJOHRPYENGIHR-UHFFFAOYSA-N
XLogP3.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-chloro-5-hydroxybenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 106501100
(2R)-1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carboxylic acid
CID 106500348
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(5-chloro-2-hydroxyphenyl)methanone
CID 43422698
1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carbonitrile
CID 106501014
(2-chloro-5-hydroxyphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 106501379
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(3-chloro-4-hydroxyphenyl)methanone
CID 43422703
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(5-chloro-2-hydroxyphenyl)methanone
CID 65321114
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(5-amino-2,3-dichlorophenyl)methanone
CID 107186081
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(3-amino-4-chlorophenyl)-1-methylpyrazol-4-yl]methanone
CID 58724533
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone
CID 82829954
2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-(5-bromo-2-chlorophenyl)methanone
CID 102679300
(2-chloro-5-hydroxyphenyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 106501985

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-hydroxyphenyl)-(2-cyclopentylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-chloro-5-hydroxyphenyl)-(2-cyclopentylpyrrolidin-1-yl)methanone (CID 106501693) is (2-chloro-5-hydroxyphenyl)-(2-cyclopentylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-chloro-5-hydroxyphenyl)-(2-cyclopentylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-chloro-5-hydroxyphenyl)-(2-cyclopentylpyrrolidin-1-yl)methanone is O=C(c1cc(O)ccc1Cl)N1CCCC1C1CCCC1.
What is the InChIKey of (2-chloro-5-hydroxyphenyl)-(2-cyclopentylpyrrolidin-1-yl)methanone?
The InChIKey is AQJOHRPYENGIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c17-14-8-7-12(19)10-13(14)16(20)18-9-3-6-15(18)11-4-1-2-5-11/h7-8,10-11,15,19H,1-6,9H2.
What are the key properties of (2-chloro-5-hydroxyphenyl)-(2-cyclopentylpyrrolidin-1-yl)methanone?
(2-chloro-5-hydroxyphenyl)-(2-cyclopentylpyrrolidin-1-yl)methanone has a molecular weight of 293.79 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-hydroxyphenyl)-(2-cyclopentylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 106501693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).