[3-hydroxy-3-(3-hydroxyphenyl)propyl]carbamic acid

C10H13NO4 — CID 67296637

IUPAC[3-hydroxy-3-(3-hydroxyphenyl)propyl]carbamic acid
SMILESO=C(O)NCCC(O)c1cccc(O)c1
InChIInChI=1S/C10H13NO4/c12-8-3-1-2-7(6-8)9(13)4-5-11-10(14)15/h1-3,6,9,11-13H,4-5H2,(H,14,15)
InChIKeyUTRXVXMEVWDGPG-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.08
Rot. Bonds4

About [3-hydroxy-3-(3-hydroxyphenyl)propyl]carbamic acid

[3-hydroxy-3-(3-hydroxyphenyl)propyl]carbamic acid (PubChem CID 67296637) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is [3-hydroxy-3-(3-hydroxyphenyl)propyl]carbamic acid.

Molecular Properties

Compound Name[3-hydroxy-3-(3-hydroxyphenyl)propyl]carbamic acid
PubChem CID67296637
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name[3-hydroxy-3-(3-hydroxyphenyl)propyl]carbamic acid
SMILESO=C(O)NCCC(O)c1cccc(O)c1
InChIInChI=1S/C10H13NO4/c12-8-3-1-2-7(6-8)9(13)4-5-11-10(14)15/h1-3,6,9,11-13H,4-5H2,(H,14,15)
InChIKeyUTRXVXMEVWDGPG-UHFFFAOYSA-N
XLogP1.08
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze [3-hydroxy-3-(3-hydroxyphenyl)propyl]carbamic acid with MolForge

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

Launch Full Analysis

Related Compounds

[2-hydroxy-2-(3-hydroxyphenyl)ethyl]carbamic acid
CID 70112963
2-(3-hydroxyphenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]acetamide
CID 97014799
[3-hydroxy-3-[3-(2-propylpentanoylamino)phenyl]propyl]carbamic acid
CID 67296701
[3-[3-(cyclopentylmethylsulfinyl)phenyl]-3-hydroxypropyl]carbamic acid
CID 67130320
[3-[3-(cyclohexylsulfonylamino)phenyl]-3-hydroxypropyl]carbamic acid
CID 67296705
N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]propanamide
CID 20616558
tert-butyl N-[3-hydroxy-3-(3-hydroxyphenyl)propyl]carbamate;tert-butyl N-[3-hydroxy-3-(3-methylphenyl)propyl]carbamate;tert-butyl N-[3-(3-hydroxyphenyl)-3-oxopropyl]carbamate;tert-butyl N-[3-(3-methylphenyl)-3-oxopropyl]carbamate
CID 159118729
[3-hydroxy-3-[3-(thian-4-ylmethylsulfanyl)phenyl]propyl]carbamic acid
CID 90405693
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
2-(dimethylamino)-N-[3-hydroxy-3-(3-hydroxyphenyl)propyl]-4-phenylpyrimidine-5-carboxamide
CID 11338343
[3-(3-aminophenyl)-1,1-dideuterio-3-hydroxypropyl]carbamic acid
CID 90894433
[3-(3-aminophenyl)-2,2-dideuterio-3-hydroxypropyl]carbamic acid
CID 87344495

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(3-hydroxyphenyl)propyl]carbamic acid?
The IUPAC name of [3-hydroxy-3-(3-hydroxyphenyl)propyl]carbamic acid (CID 67296637) is [3-hydroxy-3-(3-hydroxyphenyl)propyl]carbamic acid.
What is the SMILES notation for [3-hydroxy-3-(3-hydroxyphenyl)propyl]carbamic acid?
The canonical SMILES for [3-hydroxy-3-(3-hydroxyphenyl)propyl]carbamic acid is O=C(O)NCCC(O)c1cccc(O)c1.
What is the InChIKey of [3-hydroxy-3-(3-hydroxyphenyl)propyl]carbamic acid?
The InChIKey is UTRXVXMEVWDGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c12-8-3-1-2-7(6-8)9(13)4-5-11-10(14)15/h1-3,6,9,11-13H,4-5H2,(H,14,15).
What are the key properties of [3-hydroxy-3-(3-hydroxyphenyl)propyl]carbamic acid?
[3-hydroxy-3-(3-hydroxyphenyl)propyl]carbamic acid has a molecular weight of 211.22 g/mol, XLogP of 1.08, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(3-hydroxyphenyl)propyl]carbamic acid is sourced from PubChem (CID 67296637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).