[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methanol

C13H19NO2 — CID 46785371

IUPAC[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methanol
SMILESCOc1ccc(CN2CCCC2)cc1CO
InChIInChI=1S/C13H19NO2/c1-16-13-5-4-11(8-12(13)10-15)9-14-6-2-3-7-14/h4-5,8,15H,2-3,6-7,9-10H2,1H3
InChIKeyDWTAQLPCWPXCMJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.78
Rot. Bonds4

About [2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methanol

[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methanol (PubChem CID 46785371) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is [2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methanol.

Molecular Properties

Compound Name[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methanol
PubChem CID46785371
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methanol
SMILESCOc1ccc(CN2CCCC2)cc1CO
InChIInChI=1S/C13H19NO2/c1-16-13-5-4-11(8-12(13)10-15)9-14-6-2-3-7-14/h4-5,8,15H,2-3,6-7,9-10H2,1H3
InChIKeyDWTAQLPCWPXCMJ-UHFFFAOYSA-N
XLogP1.78
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-ethyl-1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidin-3-ol
CID 99935983
(2-methoxy-5-piperidin-1-ylphenyl)methanol
CID 70229498
2-methoxy-5-(piperidin-1-ylmethyl)benzonitrile
CID 65343965
2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenol
CID 82979671
1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(3-methylphenyl)piperidin-4-ol
CID 46955110
1-[4-[[3-(aminomethyl)-4-methoxyphenyl]methyl]piperazin-1-yl]ethanone
CID 65340739
2-[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]piperidin-3-yl]ethanol
CID 107227284
2-[4-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol
CID 45204394
[3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol
CID 62018213
5-(azetidin-1-ylmethyl)-2-methoxybenzaldehyde
CID 153327457
[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol
CID 63159605
[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine
CID 65338758

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methanol?
The IUPAC name of [2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methanol (CID 46785371) is [2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methanol.
What is the SMILES notation for [2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methanol?
The canonical SMILES for [2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methanol is COc1ccc(CN2CCCC2)cc1CO.
What is the InChIKey of [2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methanol?
The InChIKey is DWTAQLPCWPXCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-16-13-5-4-11(8-12(13)10-15)9-14-6-2-3-7-14/h4-5,8,15H,2-3,6-7,9-10H2,1H3.
What are the key properties of [2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methanol?
[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methanol has a molecular weight of 221.30 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methanol is sourced from PubChem (CID 46785371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).