[2-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol

C13H18ClNO2 — CID 83079886

IUPAC[2-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
SMILESCOc1ccc(Cl)cc1CC1(CO)CCCN1
InChIInChI=1S/C13H18ClNO2/c1-17-12-4-3-11(14)7-10(12)8-13(9-16)5-2-6-15-13/h3-4,7,15-16H,2,5-6,8-9H2,1H3
InChIKeyPAHGEPSGEDQYFE-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.01
Rot. Bonds4

About [2-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol

[2-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 83079886) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is [2-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[2-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
PubChem CID83079886
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name[2-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
SMILESCOc1ccc(Cl)cc1CC1(CO)CCCN1
InChIInChI=1S/C13H18ClNO2/c1-17-12-4-3-11(14)7-10(12)8-13(9-16)5-2-6-15-13/h3-4,7,15-16H,2,5-6,8-9H2,1H3
InChIKeyPAHGEPSGEDQYFE-UHFFFAOYSA-N
XLogP2.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 106870628
[2-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 83080326
4-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoropiperidine
CID 112563142
[1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358964
4-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]-1-methoxybenzene
CID 66034885
1-[(5-chloro-2-methoxyphenyl)methyl]-3-methoxycyclobutan-1-ol
CID 106823676
2-[(2,5-dichlorophenyl)methyl]-2-ethylazepane
CID 79116804
1-[(5-chloro-2-methoxyphenyl)methyl]-2-methylcyclopentan-1-ol
CID 65154299
4-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 65146901
[2-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 107895007
4-[(5-chloro-2-methoxyphenyl)methyl]-3-ethylpiperidin-4-ol
CID 114510368
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66025564

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [2-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol (CID 83079886) is [2-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [2-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [2-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol is COc1ccc(Cl)cc1CC1(CO)CCCN1.
What is the InChIKey of [2-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is PAHGEPSGEDQYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-17-12-4-3-11(14)7-10(12)8-13(9-16)5-2-6-15-13/h3-4,7,15-16H,2,5-6,8-9H2,1H3.
What are the key properties of [2-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol?
[2-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 255.74 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 83079886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).