3-(4-chloro-3-methoxyphenyl)-1-cyclopropylpyrrolidin-3-ol

C14H18ClNO2 — CID 79711459

IUPAC3-(4-chloro-3-methoxyphenyl)-1-cyclopropylpyrrolidin-3-ol
SMILESCOc1cc(C2(O)CCN(C3CC3)C2)ccc1Cl
InChIInChI=1S/C14H18ClNO2/c1-18-13-8-10(2-5-12(13)15)14(17)6-7-16(9-14)11-3-4-11/h2,5,8,11,17H,3-4,6-7,9H2,1H3
InChIKeySHEGNWQCCSUJQA-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.40
Rot. Bonds3

About 3-(4-chloro-3-methoxyphenyl)-1-cyclopropylpyrrolidin-3-ol

3-(4-chloro-3-methoxyphenyl)-1-cyclopropylpyrrolidin-3-ol (PubChem CID 79711459) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 3-(4-chloro-3-methoxyphenyl)-1-cyclopropylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-(4-chloro-3-methoxyphenyl)-1-cyclopropylpyrrolidin-3-ol
PubChem CID79711459
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name3-(4-chloro-3-methoxyphenyl)-1-cyclopropylpyrrolidin-3-ol
SMILESCOc1cc(C2(O)CCN(C3CC3)C2)ccc1Cl
InChIInChI=1S/C14H18ClNO2/c1-18-13-8-10(2-5-12(13)15)14(17)6-7-16(9-14)11-3-4-11/h2,5,8,11,17H,3-4,6-7,9H2,1H3
InChIKeySHEGNWQCCSUJQA-UHFFFAOYSA-N
XLogP2.40
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(4-chloro-3-methoxyphenyl)spiro[4.5]decan-8-ol
CID 114819278
tert-butyl 4-(4-chloro-3-methoxyphenyl)-4-hydroxypiperidine-1-carboxylate
CID 68503586
1-(4-chloro-3-methoxyphenyl)-3,3-dimethylcyclohexan-1-ol
CID 79700558
1-(4-chloro-3-methoxyphenyl)-2,3-dimethylcyclohexan-1-amine
CID 79698794
(3R,9aR)-3-(3-methoxyphenyl)-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol
CID 3044358
1-cyclopentyl-3-phenylpyrrolidin-3-ol
CID 131904194
[(7R,9aS)-7-(3,4-difluorophenyl)-7-hydroxy-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl]-(2-chloro-3-methoxyphenyl)methanone
CID 155457052
1-cyclopropyl-3-(5-fluoro-2-methylphenyl)pyrrolidin-3-ol
CID 62975984
1-(4-chloro-3-methoxyphenyl)cyclohexan-1-amine
CID 79700571
1-cyclopropyl-3-(1-ethylpyrazol-4-yl)pyrrolidin-3-ol
CID 62975249
8-(4-chloro-3-methoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol
CID 79699596
2-tert-butyl-4-(4-chloro-3-methoxyphenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carboxylic acid
CID 122472508

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methoxyphenyl)-1-cyclopropylpyrrolidin-3-ol?
The IUPAC name of 3-(4-chloro-3-methoxyphenyl)-1-cyclopropylpyrrolidin-3-ol (CID 79711459) is 3-(4-chloro-3-methoxyphenyl)-1-cyclopropylpyrrolidin-3-ol.
What is the SMILES notation for 3-(4-chloro-3-methoxyphenyl)-1-cyclopropylpyrrolidin-3-ol?
The canonical SMILES for 3-(4-chloro-3-methoxyphenyl)-1-cyclopropylpyrrolidin-3-ol is COc1cc(C2(O)CCN(C3CC3)C2)ccc1Cl.
What is the InChIKey of 3-(4-chloro-3-methoxyphenyl)-1-cyclopropylpyrrolidin-3-ol?
The InChIKey is SHEGNWQCCSUJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-18-13-8-10(2-5-12(13)15)14(17)6-7-16(9-14)11-3-4-11/h2,5,8,11,17H,3-4,6-7,9H2,1H3.
What are the key properties of 3-(4-chloro-3-methoxyphenyl)-1-cyclopropylpyrrolidin-3-ol?
3-(4-chloro-3-methoxyphenyl)-1-cyclopropylpyrrolidin-3-ol has a molecular weight of 267.76 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-methoxyphenyl)-1-cyclopropylpyrrolidin-3-ol is sourced from PubChem (CID 79711459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).