(4-chloro-2-hydroxyphenyl)-(2-methylpyrrolidin-1-yl)methanone

C12H14ClNO2 — CID 60975104

IUPAC(4-chloro-2-hydroxyphenyl)-(2-methylpyrrolidin-1-yl)methanone
SMILESCC1CCCN1C(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C12H14ClNO2/c1-8-3-2-6-14(8)12(16)10-5-4-9(13)7-11(10)15/h4-5,7-8,15H,2-3,6H2,1H3
InChIKeyLDWAULLTCBGMAT-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.67
Rot. Bonds1

About (4-chloro-2-hydroxyphenyl)-(2-methylpyrrolidin-1-yl)methanone

(4-chloro-2-hydroxyphenyl)-(2-methylpyrrolidin-1-yl)methanone (PubChem CID 60975104) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is (4-chloro-2-hydroxyphenyl)-(2-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-2-hydroxyphenyl)-(2-methylpyrrolidin-1-yl)methanone
PubChem CID60975104
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name(4-chloro-2-hydroxyphenyl)-(2-methylpyrrolidin-1-yl)methanone
SMILESCC1CCCN1C(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C12H14ClNO2/c1-8-3-2-6-14(8)12(16)10-5-4-9(13)7-11(10)15/h4-5,7-8,15H,2-3,6H2,1H3
InChIKeyLDWAULLTCBGMAT-UHFFFAOYSA-N
XLogP2.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43176497
(5-chloro-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 61146717
(4-chloro-2-hydroxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030485
1-(4-chloro-2-hydroxybenzoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79364519
1-(4-chloro-2-hydroxybenzoyl)azepane-2-carboxylic acid
CID 64559155
1-(4-chloro-2-hydroxybenzoyl)piperidine-2-carboxamide
CID 54943176
(2-methylpyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 110728179
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537
(4-chloro-2-hydroxyphenyl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone
CID 97189656
(4-chloro-2-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61227227
(4-amino-2-chlorophenyl)-(2-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 119781055
2-[1-(4-chloro-2-hydroxybenzoyl)piperidin-2-yl]acetic acid
CID 61010246

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-hydroxyphenyl)-(2-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-chloro-2-hydroxyphenyl)-(2-methylpyrrolidin-1-yl)methanone (CID 60975104) is (4-chloro-2-hydroxyphenyl)-(2-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-chloro-2-hydroxyphenyl)-(2-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-chloro-2-hydroxyphenyl)-(2-methylpyrrolidin-1-yl)methanone is CC1CCCN1C(=O)c1ccc(Cl)cc1O.
What is the InChIKey of (4-chloro-2-hydroxyphenyl)-(2-methylpyrrolidin-1-yl)methanone?
The InChIKey is LDWAULLTCBGMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-8-3-2-6-14(8)12(16)10-5-4-9(13)7-11(10)15/h4-5,7-8,15H,2-3,6H2,1H3.
What are the key properties of (4-chloro-2-hydroxyphenyl)-(2-methylpyrrolidin-1-yl)methanone?
(4-chloro-2-hydroxyphenyl)-(2-methylpyrrolidin-1-yl)methanone has a molecular weight of 239.70 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-hydroxyphenyl)-(2-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 60975104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).