1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol

C13H18ClNO2 — CID 82120406

IUPAC1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol
SMILESCOc1ccc(C(O)CN2CCCC2)cc1Cl
InChIInChI=1S/C13H18ClNO2/c1-17-13-5-4-10(8-11(13)14)12(16)9-15-6-2-3-7-15/h4-5,8,12,16H,2-3,6-7,9H2,1H3
InChIKeyZOMZHESOGXNVNF-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.48
Rot. Bonds4

About 1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol

1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol (PubChem CID 82120406) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol
PubChem CID82120406
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol
SMILESCOc1ccc(C(O)CN2CCCC2)cc1Cl
InChIInChI=1S/C13H18ClNO2/c1-17-13-5-4-10(8-11(13)14)12(16)9-15-6-2-3-7-15/h4-5,8,12,16H,2-3,6-7,9H2,1H3
InChIKeyZOMZHESOGXNVNF-UHFFFAOYSA-N
XLogP2.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol
CID 82123734
1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanol
CID 56686974
(1S)-1-(3-fluoro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 94264435
(1S)-1-[4-(3-chloro-4-methoxyphenyl)phenyl]-2-morpholin-4-ylethanol
CID 95125897
2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol
CID 54944635
1-(3-amino-4-chlorophenyl)-2-(azepan-1-yl)ethanol
CID 82487771
2-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol
CID 116860097
1-(3-chloro-4-methoxyphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one
CID 12952367
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanol
CID 53180160
(1S)-2-(4-cyclohexylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanol
CID 95104680
(3-chloro-4-methoxyphenyl)-cycloheptylmethanol
CID 62590019
1-(3-chloro-4-methoxyphenyl)-2-(furan-3-yl)ethanol
CID 83172552

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol (CID 82120406) is 1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol is COc1ccc(C(O)CN2CCCC2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol?
The InChIKey is ZOMZHESOGXNVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-17-13-5-4-10(8-11(13)14)12(16)9-15-6-2-3-7-15/h4-5,8,12,16H,2-3,6-7,9H2,1H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol?
1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol has a molecular weight of 255.75 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol is sourced from PubChem (CID 82120406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).