phenylmethoxycarbamic acid

C8H9NO3 — CID 15739368

IUPACphenylmethoxycarbamic acid
SMILESO=C(O)NOCc1ccccc1
InChIInChI=1S/C8H9NO3/c10-8(11)9-12-6-7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11)
InChIKeyOSHXXOCGXCIKKN-UHFFFAOYSA-N
MW167.16 g/mol
LogP1.39
Rot. Bonds3

About phenylmethoxycarbamic acid

phenylmethoxycarbamic acid (PubChem CID 15739368) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is phenylmethoxycarbamic acid.

Molecular Properties

Compound Namephenylmethoxycarbamic acid
PubChem CID15739368
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Namephenylmethoxycarbamic acid
SMILESO=C(O)NOCc1ccccc1
InChIInChI=1S/C8H9NO3/c10-8(11)9-12-6-7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11)
InChIKeyOSHXXOCGXCIKKN-UHFFFAOYSA-N
XLogP1.39
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Styramate
CID 7186
O-Benzylhydroxylamine
CID 102313
Benzyl hydroxycarbamate
CID 18907
Benzyloxyurea
CID 231398
Benzyl carbamate
CID 12136
Benzyl (benzyloxy)carbamate
CID 13417381
Phenethyl carbamate
CID 233105
Tert-butyl N-(benzyloxy)carbamate
CID 736159
(Benzyloxy)(methyl)amine
CID 13417387
benzyl N-sulfamoyloxycarbamate
CID 122187596
N-(Phenylmethoxy)guanidine
CID 12812
Carbamic acid, (alpha-ethylbenzyl) ester
CID 52366

Frequently Asked Questions

What is the IUPAC name of phenylmethoxycarbamic acid?
The IUPAC name of phenylmethoxycarbamic acid (CID 15739368) is phenylmethoxycarbamic acid.
What is the SMILES notation for phenylmethoxycarbamic acid?
The canonical SMILES for phenylmethoxycarbamic acid is O=C(O)NOCc1ccccc1.
What is the InChIKey of phenylmethoxycarbamic acid?
The InChIKey is OSHXXOCGXCIKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c10-8(11)9-12-6-7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11).
What are the key properties of phenylmethoxycarbamic acid?
phenylmethoxycarbamic acid has a molecular weight of 167.16 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethoxycarbamic acid is sourced from PubChem (CID 15739368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).