(3-hydroxyphenyl)-methylcarbamic acid

C8H9NO3 — CID 20544632

IUPAC(3-hydroxyphenyl)-methylcarbamic acid
SMILESCN(C(=O)O)c1cccc(O)c1
InChIInChI=1S/C8H9NO3/c1-9(8(11)12)6-3-2-4-7(10)5-6/h2-5,10H,1H3,(H,11,12)
InChIKeyCVKKNJKDYRCBBE-UHFFFAOYSA-N
MW167.16 g/mol
LogP1.51
Rot. Bonds1

About (3-hydroxyphenyl)-methylcarbamic acid

(3-hydroxyphenyl)-methylcarbamic acid (PubChem CID 20544632) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is (3-hydroxyphenyl)-methylcarbamic acid.

Molecular Properties

Compound Name(3-hydroxyphenyl)-methylcarbamic acid
PubChem CID20544632
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name(3-hydroxyphenyl)-methylcarbamic acid
SMILESCN(C(=O)O)c1cccc(O)c1
InChIInChI=1S/C8H9NO3/c1-9(8(11)12)6-3-2-4-7(10)5-6/h2-5,10H,1H3,(H,11,12)
InChIKeyCVKKNJKDYRCBBE-UHFFFAOYSA-N
XLogP1.51
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 107737206
3,5-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735650
2-amino-N-(3-hydroxyphenyl)-N,2-dimethylpropanamide
CID 107734712
(2R)-2-amino-N-(3-hydroxyphenyl)-N-methylpropanamide
CID 107734692
(E)-N-(3-hydroxyphenyl)-N-methyl-3-phenylprop-2-enamide
CID 107735974
ethyl-(3-hydroxyphenyl)carbamic acid
CID 20544636
4-[(3-hydroxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 107737513
1-[(3-hydroxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 107737508
(1S,6R)-6-[(3-hydroxyphenyl)-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 107734001
N-(3-hydroxyphenyl)-N-methylpyridine-4-carboxamide
CID 107735844
N-(3-hydroxyphenyl)-N-methylpentanamide
CID 107735913
3,4-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735623

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl)-methylcarbamic acid?
The IUPAC name of (3-hydroxyphenyl)-methylcarbamic acid (CID 20544632) is (3-hydroxyphenyl)-methylcarbamic acid.
What is the SMILES notation for (3-hydroxyphenyl)-methylcarbamic acid?
The canonical SMILES for (3-hydroxyphenyl)-methylcarbamic acid is CN(C(=O)O)c1cccc(O)c1.
What is the InChIKey of (3-hydroxyphenyl)-methylcarbamic acid?
The InChIKey is CVKKNJKDYRCBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-9(8(11)12)6-3-2-4-7(10)5-6/h2-5,10H,1H3,(H,11,12).
What are the key properties of (3-hydroxyphenyl)-methylcarbamic acid?
(3-hydroxyphenyl)-methylcarbamic acid has a molecular weight of 167.16 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenyl)-methylcarbamic acid is sourced from PubChem (CID 20544632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).