1-(5-chloro-2-methoxy-4-methylphenyl)-1-pyrrolidin-2-ylethanol

C14H20ClNO2 — CID 82305742

IUPAC1-(5-chloro-2-methoxy-4-methylphenyl)-1-pyrrolidin-2-ylethanol
SMILESCOc1cc(C)c(Cl)cc1C(C)(O)C1CCCN1
InChIInChI=1S/C14H20ClNO2/c1-9-7-12(18-3)10(8-11(9)15)14(2,17)13-5-4-6-16-13/h7-8,13,16-17H,4-6H2,1-3H3
InChIKeyBWFMALHFRNOBHX-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.62
Rot. Bonds3

About 1-(5-chloro-2-methoxy-4-methylphenyl)-1-pyrrolidin-2-ylethanol

1-(5-chloro-2-methoxy-4-methylphenyl)-1-pyrrolidin-2-ylethanol (PubChem CID 82305742) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxy-4-methylphenyl)-1-pyrrolidin-2-ylethanol.

Molecular Properties

Compound Name1-(5-chloro-2-methoxy-4-methylphenyl)-1-pyrrolidin-2-ylethanol
PubChem CID82305742
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name1-(5-chloro-2-methoxy-4-methylphenyl)-1-pyrrolidin-2-ylethanol
SMILESCOc1cc(C)c(Cl)cc1C(C)(O)C1CCCN1
InChIInChI=1S/C14H20ClNO2/c1-9-7-12(18-3)10(8-11(9)15)14(2,17)13-5-4-6-16-13/h7-8,13,16-17H,4-6H2,1-3H3
InChIKeyBWFMALHFRNOBHX-UHFFFAOYSA-N
XLogP2.62
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-3-methylphenyl)-1-pyrrolidin-2-ylethanol
CID 82291205
1-(2-methylthiophen-3-yl)-1-pyrrolidin-2-ylethanol
CID 130826239
1-(4-fluoro-3-methylphenyl)-1-pyrrolidin-2-ylethanol
CID 82287159
1-[(2S)-pyrrolidin-2-yl]-1-(2,4,6-tritert-butylphenyl)ethanol
CID 138485654
1-(4-methoxy-2,5-dimethylphenyl)-1-piperidin-3-ylethanol
CID 82303353
2-[(2R)-pyrrolidin-2-yl]propan-2-ol
CID 12732175
1-(3-methylphenyl)-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 155141493
(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 13068815
2-[2,2-difluoro-2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyrrolidine
CID 116840127
bis(4-methoxy-3,5-dimethylphenyl)-[(2S)-piperidin-2-yl]methanol
CID 102508076
4-(4-chloro-2-methoxy-5-methylphenyl)piperidine
CID 83392391
5-chloro-4-methoxy-2-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210121

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxy-4-methylphenyl)-1-pyrrolidin-2-ylethanol?
The IUPAC name of 1-(5-chloro-2-methoxy-4-methylphenyl)-1-pyrrolidin-2-ylethanol (CID 82305742) is 1-(5-chloro-2-methoxy-4-methylphenyl)-1-pyrrolidin-2-ylethanol.
What is the SMILES notation for 1-(5-chloro-2-methoxy-4-methylphenyl)-1-pyrrolidin-2-ylethanol?
The canonical SMILES for 1-(5-chloro-2-methoxy-4-methylphenyl)-1-pyrrolidin-2-ylethanol is COc1cc(C)c(Cl)cc1C(C)(O)C1CCCN1.
What is the InChIKey of 1-(5-chloro-2-methoxy-4-methylphenyl)-1-pyrrolidin-2-ylethanol?
The InChIKey is BWFMALHFRNOBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-9-7-12(18-3)10(8-11(9)15)14(2,17)13-5-4-6-16-13/h7-8,13,16-17H,4-6H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxy-4-methylphenyl)-1-pyrrolidin-2-ylethanol?
1-(5-chloro-2-methoxy-4-methylphenyl)-1-pyrrolidin-2-ylethanol has a molecular weight of 269.77 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxy-4-methylphenyl)-1-pyrrolidin-2-ylethanol is sourced from PubChem (CID 82305742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).