[4-[2-[2-(hydroxymethyl)-2-(methylamino)cyclopentyl]ethoxy]phenyl]methanol

C16H25NO3 — CID 79581217

IUPAC[4-[2-[2-(hydroxymethyl)-2-(methylamino)cyclopentyl]ethoxy]phenyl]methanol
SMILESCNC1(CO)CCCC1CCOc1ccc(CO)cc1
InChIInChI=1S/C16H25NO3/c1-17-16(12-19)9-2-3-14(16)8-10-20-15-6-4-13(11-18)5-7-15/h4-7,14,17-19H,2-3,8-12H2,1H3
InChIKeyMSYOVKNCPYDAPZ-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.70
Rot. Bonds7

About [4-[2-[2-(hydroxymethyl)-2-(methylamino)cyclopentyl]ethoxy]phenyl]methanol

[4-[2-[2-(hydroxymethyl)-2-(methylamino)cyclopentyl]ethoxy]phenyl]methanol (PubChem CID 79581217) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is [4-[2-[2-(hydroxymethyl)-2-(methylamino)cyclopentyl]ethoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-[2-(hydroxymethyl)-2-(methylamino)cyclopentyl]ethoxy]phenyl]methanol
PubChem CID79581217
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name[4-[2-[2-(hydroxymethyl)-2-(methylamino)cyclopentyl]ethoxy]phenyl]methanol
SMILESCNC1(CO)CCCC1CCOc1ccc(CO)cc1
InChIInChI=1S/C16H25NO3/c1-17-16(12-19)9-2-3-14(16)8-10-20-15-6-4-13(11-18)5-7-15/h4-7,14,17-19H,2-3,8-12H2,1H3
InChIKeyMSYOVKNCPYDAPZ-UHFFFAOYSA-N
XLogP1.70
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [4-[2-[2-(hydroxymethyl)-2-(methylamino)cyclopentyl]ethoxy]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[2-[2-(hydroxymethyl)-2-(methylamino)cyclopentyl]ethoxy]phenyl]methanol?
The IUPAC name of [4-[2-[2-(hydroxymethyl)-2-(methylamino)cyclopentyl]ethoxy]phenyl]methanol (CID 79581217) is [4-[2-[2-(hydroxymethyl)-2-(methylamino)cyclopentyl]ethoxy]phenyl]methanol.
What is the SMILES notation for [4-[2-[2-(hydroxymethyl)-2-(methylamino)cyclopentyl]ethoxy]phenyl]methanol?
The canonical SMILES for [4-[2-[2-(hydroxymethyl)-2-(methylamino)cyclopentyl]ethoxy]phenyl]methanol is CNC1(CO)CCCC1CCOc1ccc(CO)cc1.
What is the InChIKey of [4-[2-[2-(hydroxymethyl)-2-(methylamino)cyclopentyl]ethoxy]phenyl]methanol?
The InChIKey is MSYOVKNCPYDAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-17-16(12-19)9-2-3-14(16)8-10-20-15-6-4-13(11-18)5-7-15/h4-7,14,17-19H,2-3,8-12H2,1H3.
What are the key properties of [4-[2-[2-(hydroxymethyl)-2-(methylamino)cyclopentyl]ethoxy]phenyl]methanol?
[4-[2-[2-(hydroxymethyl)-2-(methylamino)cyclopentyl]ethoxy]phenyl]methanol has a molecular weight of 279.38 g/mol, XLogP of 1.70, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[2-(hydroxymethyl)-2-(methylamino)cyclopentyl]ethoxy]phenyl]methanol is sourced from PubChem (CID 79581217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).