[2-hydroxy-2-(3-hydroxyphenyl)ethyl]carbamic acid

C9H11NO4 — CID 70112963

IUPAC[2-hydroxy-2-(3-hydroxyphenyl)ethyl]carbamic acid
SMILESO=C(O)NCC(O)c1cccc(O)c1
InChIInChI=1S/C9H11NO4/c11-7-3-1-2-6(4-7)8(12)5-10-9(13)14/h1-4,8,10-12H,5H2,(H,13,14)
InChIKeyPLZVYPMITSSDED-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.69
Rot. Bonds3

About [2-hydroxy-2-(3-hydroxyphenyl)ethyl]carbamic acid

[2-hydroxy-2-(3-hydroxyphenyl)ethyl]carbamic acid (PubChem CID 70112963) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is [2-hydroxy-2-(3-hydroxyphenyl)ethyl]carbamic acid.

Molecular Properties

Compound Name[2-hydroxy-2-(3-hydroxyphenyl)ethyl]carbamic acid
PubChem CID70112963
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name[2-hydroxy-2-(3-hydroxyphenyl)ethyl]carbamic acid
SMILESO=C(O)NCC(O)c1cccc(O)c1
InChIInChI=1S/C9H11NO4/c11-7-3-1-2-6(4-7)8(12)5-10-9(13)14/h1-4,8,10-12H,5H2,(H,13,14)
InChIKeyPLZVYPMITSSDED-UHFFFAOYSA-N
XLogP0.69
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

[3-hydroxy-3-(3-hydroxyphenyl)propyl]carbamic acid
CID 67296637
N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]propanamide
CID 20616558
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N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]tetradecanamide
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3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride
CID 16745125
3-[(1S)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol
CID 7435960
1-cycloheptyl-3-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]urea
CID 119060582
3-[(1R)-1-hydroxy-2-(trideuterio(113C)methylamino)ethyl]phenol
CID 76973806
(2-hydroxy-2-pyridin-3-ylethyl)carbamic acid
CID 21105805
3-(benzenesulfonamido)-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]benzamide
CID 18928950
[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methylcarbamic acid
CID 67420413
1-(2-cyclohexylsulfanylethyl)-3-[(2S)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]urea
CID 125445384

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-2-(3-hydroxyphenyl)ethyl]carbamic acid?
The IUPAC name of [2-hydroxy-2-(3-hydroxyphenyl)ethyl]carbamic acid (CID 70112963) is [2-hydroxy-2-(3-hydroxyphenyl)ethyl]carbamic acid.
What is the SMILES notation for [2-hydroxy-2-(3-hydroxyphenyl)ethyl]carbamic acid?
The canonical SMILES for [2-hydroxy-2-(3-hydroxyphenyl)ethyl]carbamic acid is O=C(O)NCC(O)c1cccc(O)c1.
What is the InChIKey of [2-hydroxy-2-(3-hydroxyphenyl)ethyl]carbamic acid?
The InChIKey is PLZVYPMITSSDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c11-7-3-1-2-6(4-7)8(12)5-10-9(13)14/h1-4,8,10-12H,5H2,(H,13,14).
What are the key properties of [2-hydroxy-2-(3-hydroxyphenyl)ethyl]carbamic acid?
[2-hydroxy-2-(3-hydroxyphenyl)ethyl]carbamic acid has a molecular weight of 197.19 g/mol, XLogP of 0.69, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-2-(3-hydroxyphenyl)ethyl]carbamic acid is sourced from PubChem (CID 70112963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).