[2-(3-chloro-4-hydroxyphenyl)phenyl]-pyrrolidin-3-ylmethanone

C17H16ClNO2 — CID 121230040

IUPAC[2-(3-chloro-4-hydroxyphenyl)phenyl]-pyrrolidin-3-ylmethanone
SMILESO=C(c1ccccc1-c1ccc(O)c(Cl)c1)C1CCNC1
InChIInChI=1S/C17H16ClNO2/c18-15-9-11(5-6-16(15)20)13-3-1-2-4-14(13)17(21)12-7-8-19-10-12/h1-6,9,12,19-20H,7-8,10H2
InChIKeyDPRLTMBKYNWRGI-UHFFFAOYSA-N
MW301.77 g/mol
LogP3.50
Rot. Bonds3

About [2-(3-chloro-4-hydroxyphenyl)phenyl]-pyrrolidin-3-ylmethanone

[2-(3-chloro-4-hydroxyphenyl)phenyl]-pyrrolidin-3-ylmethanone (PubChem CID 121230040) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is [2-(3-chloro-4-hydroxyphenyl)phenyl]-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name[2-(3-chloro-4-hydroxyphenyl)phenyl]-pyrrolidin-3-ylmethanone
PubChem CID121230040
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name[2-(3-chloro-4-hydroxyphenyl)phenyl]-pyrrolidin-3-ylmethanone
SMILESO=C(c1ccccc1-c1ccc(O)c(Cl)c1)C1CCNC1
InChIInChI=1S/C17H16ClNO2/c18-15-9-11(5-6-16(15)20)13-3-1-2-4-14(13)17(21)12-7-8-19-10-12/h1-6,9,12,19-20H,7-8,10H2
InChIKeyDPRLTMBKYNWRGI-UHFFFAOYSA-N
XLogP3.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-hydroxyphenyl)-pyrrolidin-3-ylmethanone
CID 90905389
2-chloro-5-[2-(pyrrolidine-3-carbonyl)phenyl]pyridine-3-carboxylic acid
CID 121230032
2-methoxy-4-[2-(pyrrolidine-3-carbonyl)phenyl]benzoic acid
CID 121230068
(2,5-dichlorophenyl)-pyrrolidin-3-ylmethanone
CID 116568315
2-[2-(pyrrolidine-3-carbonyl)phenyl]-1H-pyridin-4-one
CID 121229997
piperidin-4-yl-[2-(1H-pyrrol-3-yl)phenyl]methanone;dihydrochloride
CID 174251698
(5-chloro-2-fluorophenyl)-pyrrolidin-3-ylmethanone
CID 116916892
pyrrolidin-3-yl-[2-(trifluoromethyl)phenyl]methanone
CID 116568380
5-methoxy-2-[2-(pyrrolidine-3-carbonyl)phenyl]benzoic acid
CID 121230012
phenyl-[(3R)-pyrrolidin-3-yl]methanone
CID 86327261
[2-(4-chlorophenyl)phenyl]-cyclohexylmethanone
CID 58080078
(5-chloro-2-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568381

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-hydroxyphenyl)phenyl]-pyrrolidin-3-ylmethanone?
The IUPAC name of [2-(3-chloro-4-hydroxyphenyl)phenyl]-pyrrolidin-3-ylmethanone (CID 121230040) is [2-(3-chloro-4-hydroxyphenyl)phenyl]-pyrrolidin-3-ylmethanone.
What is the SMILES notation for [2-(3-chloro-4-hydroxyphenyl)phenyl]-pyrrolidin-3-ylmethanone?
The canonical SMILES for [2-(3-chloro-4-hydroxyphenyl)phenyl]-pyrrolidin-3-ylmethanone is O=C(c1ccccc1-c1ccc(O)c(Cl)c1)C1CCNC1.
What is the InChIKey of [2-(3-chloro-4-hydroxyphenyl)phenyl]-pyrrolidin-3-ylmethanone?
The InChIKey is DPRLTMBKYNWRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c18-15-9-11(5-6-16(15)20)13-3-1-2-4-14(13)17(21)12-7-8-19-10-12/h1-6,9,12,19-20H,7-8,10H2.
What are the key properties of [2-(3-chloro-4-hydroxyphenyl)phenyl]-pyrrolidin-3-ylmethanone?
[2-(3-chloro-4-hydroxyphenyl)phenyl]-pyrrolidin-3-ylmethanone has a molecular weight of 301.77 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-hydroxyphenyl)phenyl]-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 121230040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).