ethyl-(3-hydroxyphenyl)carbamic acid

C9H11NO3 — CID 20544636

IUPACethyl-(3-hydroxyphenyl)carbamic acid
SMILESCCN(C(=O)O)c1cccc(O)c1
InChIInChI=1S/C9H11NO3/c1-2-10(9(12)13)7-4-3-5-8(11)6-7/h3-6,11H,2H2,1H3,(H,12,13)
InChIKeyVTSPYRLPYCFERH-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.90
Rot. Bonds2

About ethyl-(3-hydroxyphenyl)carbamic acid

ethyl-(3-hydroxyphenyl)carbamic acid (PubChem CID 20544636) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is ethyl-(3-hydroxyphenyl)carbamic acid.

Molecular Properties

Compound Nameethyl-(3-hydroxyphenyl)carbamic acid
PubChem CID20544636
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Nameethyl-(3-hydroxyphenyl)carbamic acid
SMILESCCN(C(=O)O)c1cccc(O)c1
InChIInChI=1S/C9H11NO3/c1-2-10(9(12)13)7-4-3-5-8(11)6-7/h3-6,11H,2H2,1H3,(H,12,13)
InChIKeyVTSPYRLPYCFERH-UHFFFAOYSA-N
XLogP1.90
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-ethyl-N-(3-hydroxyphenyl)carbamate
CID 107734186
2-amino-N-ethyl-N-(3-hydroxyphenyl)acetamide
CID 107734970
benzyl-(3-hydroxyphenyl)carbamic acid
CID 71093078
(3-hydroxyphenyl)-prop-2-enylcarbamic acid
CID 70559245
N-ethyl-N,2-bis(3-hydroxyphenyl)acetamide
CID 107735678
N-ethyl-N-(3-hydroxyphenyl)-3-methylbutanamide
CID 107736260
N-ethyl-2-(2-hydroxyphenyl)-N-(3-hydroxyphenyl)acetamide
CID 107735690
propan-2-yl N-ethyl-N-(3-hydroxyphenyl)carbamate
CID 107734181
N-ethyl-3-hydroxy-N-(3-hydroxyphenyl)pyridine-2-carboxamide
CID 107735687
N-ethyl-N-(3-hydroxyphenyl)heptanamide
CID 107736474
N-ethyl-4-hydroxy-N-(3-hydroxyphenyl)-2-methylbenzamide
CID 107735686
(2S)-2-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 107737365

Frequently Asked Questions

What is the IUPAC name of ethyl-(3-hydroxyphenyl)carbamic acid?
The IUPAC name of ethyl-(3-hydroxyphenyl)carbamic acid (CID 20544636) is ethyl-(3-hydroxyphenyl)carbamic acid.
What is the SMILES notation for ethyl-(3-hydroxyphenyl)carbamic acid?
The canonical SMILES for ethyl-(3-hydroxyphenyl)carbamic acid is CCN(C(=O)O)c1cccc(O)c1.
What is the InChIKey of ethyl-(3-hydroxyphenyl)carbamic acid?
The InChIKey is VTSPYRLPYCFERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-2-10(9(12)13)7-4-3-5-8(11)6-7/h3-6,11H,2H2,1H3,(H,12,13).
What are the key properties of ethyl-(3-hydroxyphenyl)carbamic acid?
ethyl-(3-hydroxyphenyl)carbamic acid has a molecular weight of 181.19 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(3-hydroxyphenyl)carbamic acid is sourced from PubChem (CID 20544636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).