(4-chloro-2-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone

C12H14ClNO2 — CID 61227227

IUPAC(4-chloro-2-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(Cl)cc2O)C1
InChIInChI=1S/C12H14ClNO2/c1-8-4-5-14(7-8)12(16)10-3-2-9(13)6-11(10)15/h2-3,6,8,15H,4-5,7H2,1H3
InChIKeyQJQXBBKBUZPDOA-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.53
Rot. Bonds1

About (4-chloro-2-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone

(4-chloro-2-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone (PubChem CID 61227227) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is (4-chloro-2-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-2-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
PubChem CID61227227
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name(4-chloro-2-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(Cl)cc2O)C1
InChIInChI=1S/C12H14ClNO2/c1-8-4-5-14(7-8)12(16)10-3-2-9(13)6-11(10)15/h2-3,6,8,15H,4-5,7H2,1H3
InChIKeyQJQXBBKBUZPDOA-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916566
(4-chloro-2-hydroxyphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029566
(5-chloro-2-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 18108514
(5-chloro-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61224266
(4-chloro-2-hydroxyphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 112697914
(4-chloro-2-hydroxyphenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63528702
(4-chloro-2-hydroxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 63621212
(4-chloro-2-hydroxyphenyl)-[4-(chloromethyl)piperidin-1-yl]methanone
CID 63398279
(2-chloro-5-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 106501471
(4-chloro-2-hydroxyphenyl)-[4-(dimethylamino)azepan-1-yl]methanone
CID 56890134
2-(4-chloro-2-hydroxybenzoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863557
(4-chloro-2-hydroxyphenyl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone
CID 97189656

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-chloro-2-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone (CID 61227227) is (4-chloro-2-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-chloro-2-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-chloro-2-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone is CC1CCN(C(=O)c2ccc(Cl)cc2O)C1.
What is the InChIKey of (4-chloro-2-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone?
The InChIKey is QJQXBBKBUZPDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-8-4-5-14(7-8)12(16)10-3-2-9(13)6-11(10)15/h2-3,6,8,15H,4-5,7H2,1H3.
What are the key properties of (4-chloro-2-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone?
(4-chloro-2-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone has a molecular weight of 239.70 g/mol, XLogP of 2.53, 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)-(3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 61227227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).