[4-[3-(hydroxymethyl)-3-(methylamino)cyclopentyl]oxy-3-methoxyphenyl]methanol

C15H23NO4 — CID 107745025

IUPAC[4-[3-(hydroxymethyl)-3-(methylamino)cyclopentyl]oxy-3-methoxyphenyl]methanol
SMILESCNC1(CO)CCC(Oc2ccc(CO)cc2OC)C1
InChIInChI=1S/C15H23NO4/c1-16-15(10-18)6-5-12(8-15)20-13-4-3-11(9-17)7-14(13)19-2/h3-4,7,12,16-18H,5-6,8-10H2,1-2H3
InChIKeyODBWRPKSJZSUOR-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.07
Rot. Bonds6

About [4-[3-(hydroxymethyl)-3-(methylamino)cyclopentyl]oxy-3-methoxyphenyl]methanol

[4-[3-(hydroxymethyl)-3-(methylamino)cyclopentyl]oxy-3-methoxyphenyl]methanol (PubChem CID 107745025) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is [4-[3-(hydroxymethyl)-3-(methylamino)cyclopentyl]oxy-3-methoxyphenyl]methanol.

Molecular Properties

Compound Name[4-[3-(hydroxymethyl)-3-(methylamino)cyclopentyl]oxy-3-methoxyphenyl]methanol
PubChem CID107745025
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name[4-[3-(hydroxymethyl)-3-(methylamino)cyclopentyl]oxy-3-methoxyphenyl]methanol
SMILESCNC1(CO)CCC(Oc2ccc(CO)cc2OC)C1
InChIInChI=1S/C15H23NO4/c1-16-15(10-18)6-5-12(8-15)20-13-4-3-11(9-17)7-14(13)19-2/h3-4,7,12,16-18H,5-6,8-10H2,1-2H3
InChIKeyODBWRPKSJZSUOR-UHFFFAOYSA-N
XLogP1.07
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[3-(hydroxymethyl)-3-(methylamino)cyclopentyl]oxyphenyl]methanol
CID 79646018
[3-methoxy-4-(thian-4-yloxy)phenyl]methanol
CID 117389372
[4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-methoxyphenyl]methanol
CID 79898778
[3-(3,5-difluorophenoxy)-1-(methylamino)cyclopentyl]methanol
CID 79647984
[3-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyphenyl]methanol
CID 107743165
[1-(methylamino)-3-naphthalen-2-yloxycyclopentyl]methanol
CID 79646293
[1-(methylamino)-3-(3-methylphenoxy)cyclopentyl]methanol
CID 79645520
[3-(4-tert-butylphenoxy)-1-(methylamino)cyclopentyl]methanol
CID 79648009
2-(3,3-dimethylcyclopentyl)oxy-4-(hydroxymethyl)phenol
CID 117345058
[4-[(1R,3R)-3-(hydroxymethyl)-3-(methylamino)cyclopentyl]phenyl]methanol
CID 166644981
[3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-methoxyphenyl]methanol
CID 79898781
[3-(2-fluorophenoxy)-1-(methylamino)cyclohexyl]methanol
CID 79640904

Frequently Asked Questions

What is the IUPAC name of [4-[3-(hydroxymethyl)-3-(methylamino)cyclopentyl]oxy-3-methoxyphenyl]methanol?
The IUPAC name of [4-[3-(hydroxymethyl)-3-(methylamino)cyclopentyl]oxy-3-methoxyphenyl]methanol (CID 107745025) is [4-[3-(hydroxymethyl)-3-(methylamino)cyclopentyl]oxy-3-methoxyphenyl]methanol.
What is the SMILES notation for [4-[3-(hydroxymethyl)-3-(methylamino)cyclopentyl]oxy-3-methoxyphenyl]methanol?
The canonical SMILES for [4-[3-(hydroxymethyl)-3-(methylamino)cyclopentyl]oxy-3-methoxyphenyl]methanol is CNC1(CO)CCC(Oc2ccc(CO)cc2OC)C1.
What is the InChIKey of [4-[3-(hydroxymethyl)-3-(methylamino)cyclopentyl]oxy-3-methoxyphenyl]methanol?
The InChIKey is ODBWRPKSJZSUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-16-15(10-18)6-5-12(8-15)20-13-4-3-11(9-17)7-14(13)19-2/h3-4,7,12,16-18H,5-6,8-10H2,1-2H3.
What are the key properties of [4-[3-(hydroxymethyl)-3-(methylamino)cyclopentyl]oxy-3-methoxyphenyl]methanol?
[4-[3-(hydroxymethyl)-3-(methylamino)cyclopentyl]oxy-3-methoxyphenyl]methanol has a molecular weight of 281.35 g/mol, XLogP of 1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(hydroxymethyl)-3-(methylamino)cyclopentyl]oxy-3-methoxyphenyl]methanol is sourced from PubChem (CID 107745025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).