(2-chloro-5-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone

C12H14ClNO2 — CID 106501471

IUPAC(2-chloro-5-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(O)ccc2Cl)C1
InChIInChI=1S/C12H14ClNO2/c1-8-4-5-14(7-8)12(16)10-6-9(15)2-3-11(10)13/h2-3,6,8,15H,4-5,7H2,1H3
InChIKeyJOMSIZAYJWACRW-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.53
Rot. Bonds1

About (2-chloro-5-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone

(2-chloro-5-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone (PubChem CID 106501471) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is (2-chloro-5-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-5-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
PubChem CID106501471
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name(2-chloro-5-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(O)ccc2Cl)C1
InChIInChI=1S/C12H14ClNO2/c1-8-4-5-14(7-8)12(16)10-6-9(15)2-3-11(10)13/h2-3,6,8,15H,4-5,7H2,1H3
InChIKeyJOMSIZAYJWACRW-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-amino-3-ethylpiperidin-1-yl)-(2-chloro-5-hydroxyphenyl)methanone
CID 106499980
(2-chloro-5-hydroxyphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 106502690
[4-(1-aminoethyl)piperidin-1-yl]-(2-chloro-5-hydroxyphenyl)methanone
CID 106502596
(2-chloro-5-hydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 106502455
(4-chloro-2-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61227227
(5-chloro-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61224266
(2-amino-5-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 107073666
(5-bromo-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 17217216
(2-chloro-5-hydroxyphenyl)-[2-(chloromethyl)morpholin-4-yl]methanone
CID 106503111
(2-chloro-5-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 78776798
ethyl 1-(2-chloro-5-hydroxybenzoyl)piperidine-4-carboxylate
CID 106501349
(2-chloro-5-hydroxyphenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106502209

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-chloro-5-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone (CID 106501471) is (2-chloro-5-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-chloro-5-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-chloro-5-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone is CC1CCN(C(=O)c2cc(O)ccc2Cl)C1.
What is the InChIKey of (2-chloro-5-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone?
The InChIKey is JOMSIZAYJWACRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-8-4-5-14(7-8)12(16)10-6-9(15)2-3-11(10)13/h2-3,6,8,15H,4-5,7H2,1H3.
What are the key properties of (2-chloro-5-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone?
(2-chloro-5-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 (2-chloro-5-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 106501471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).