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

C13H16ClNO2 — CID 112697914

IUPAC(4-chloro-2-hydroxyphenyl)-(3-ethylpyrrolidin-1-yl)methanone
SMILESCCC1CCN(C(=O)c2ccc(Cl)cc2O)C1
InChIInChI=1S/C13H16ClNO2/c1-2-9-5-6-15(8-9)13(17)11-4-3-10(14)7-12(11)16/h3-4,7,9,16H,2,5-6,8H2,1H3
InChIKeyLDMLYBITMBLCRC-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.92
Rot. Bonds2

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

(4-chloro-2-hydroxyphenyl)-(3-ethylpyrrolidin-1-yl)methanone (PubChem CID 112697914) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is (4-chloro-2-hydroxyphenyl)-(3-ethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-2-hydroxyphenyl)-(3-ethylpyrrolidin-1-yl)methanone
PubChem CID112697914
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name(4-chloro-2-hydroxyphenyl)-(3-ethylpyrrolidin-1-yl)methanone
SMILESCCC1CCN(C(=O)c2ccc(Cl)cc2O)C1
InChIInChI=1S/C13H16ClNO2/c1-2-9-5-6-15(8-9)13(17)11-4-3-10(14)7-12(11)16/h3-4,7,9,16H,2,5-6,8H2,1H3
InChIKeyLDMLYBITMBLCRC-UHFFFAOYSA-N
XLogP2.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-2-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61227227
(4-chloro-2-hydroxyphenyl)-[4-(chloromethyl)piperidin-1-yl]methanone
CID 63398279
(4-chloro-2-hydroxyphenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63528702
(4-chloro-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916566
(4-chloro-2-hydroxyphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029566
(4-chloro-2-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204723
(4-chloro-2-hydroxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 63621212
(4-amino-2-chlorophenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 113267297
(4-bromo-2-hydroxyphenyl)-(4-ethylpiperidin-1-yl)methanone
CID 47436089
(2,4-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62348194
(3,4-dihydroxyphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 103957455
[(3S)-3-aminopyrrolidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 94339999

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-hydroxyphenyl)-(3-ethylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-chloro-2-hydroxyphenyl)-(3-ethylpyrrolidin-1-yl)methanone (CID 112697914) is (4-chloro-2-hydroxyphenyl)-(3-ethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-chloro-2-hydroxyphenyl)-(3-ethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-chloro-2-hydroxyphenyl)-(3-ethylpyrrolidin-1-yl)methanone is CCC1CCN(C(=O)c2ccc(Cl)cc2O)C1.
What is the InChIKey of (4-chloro-2-hydroxyphenyl)-(3-ethylpyrrolidin-1-yl)methanone?
The InChIKey is LDMLYBITMBLCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-2-9-5-6-15(8-9)13(17)11-4-3-10(14)7-12(11)16/h3-4,7,9,16H,2,5-6,8H2,1H3.
What are the key properties of (4-chloro-2-hydroxyphenyl)-(3-ethylpyrrolidin-1-yl)methanone?
(4-chloro-2-hydroxyphenyl)-(3-ethylpyrrolidin-1-yl)methanone has a molecular weight of 253.73 g/mol, XLogP of 2.92, 2 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-ethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 112697914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).