(4-methoxyphenoxy)carbamic acid

C8H9NO4 — CID 152670091

IUPAC(4-methoxyphenoxy)carbamic acid
SMILESCOc1ccc(ONC(=O)O)cc1
InChIInChI=1S/C8H9NO4/c1-12-6-2-4-7(5-3-6)13-9-8(10)11/h2-5,9H,1H3,(H,10,11)
InChIKeyVGEREDGPBHUHKP-UHFFFAOYSA-N
MW183.16 g/mol
LogP1.26
Rot. Bonds3

About (4-methoxyphenoxy)carbamic acid

(4-methoxyphenoxy)carbamic acid (PubChem CID 152670091) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is (4-methoxyphenoxy)carbamic acid.

Molecular Properties

Compound Name(4-methoxyphenoxy)carbamic acid
PubChem CID152670091
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name(4-methoxyphenoxy)carbamic acid
SMILESCOc1ccc(ONC(=O)O)cc1
InChIInChI=1S/C8H9NO4/c1-12-6-2-4-7(5-3-6)13-9-8(10)11/h2-5,9H,1H3,(H,10,11)
InChIKeyVGEREDGPBHUHKP-UHFFFAOYSA-N
XLogP1.26
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-hydroxy-N-(4-methoxyphenoxy)ethanimidamide
CID 154186935
amino-(4-methoxyphenyl)carbamic acid
CID 66864834
(4-methoxyphenyl) hydrogen carbonate
CID 19016633
4-methoxybenzoic acid;hydrobromide
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4-methoxybenzoic acid;silver
CID 140722019
(4-methoxyphenyl)-methylcarbamic acid
CID 22047987
4-methoxybenzoic acid;1-methoxy-4-methylbenzene
CID 18916324
anisole;methyl 4-methoxybenzoate
CID 158093995
(2S,3S)-2,3-dihydroxy-2,3-bis(4-methoxybenzoyl)butanedioic acid
CID 66875563
2-(4-methoxyanilino)-2-oxoacetic acid
CID 4962374
diethyl 2-methylpropanedioate;1,4-dimethoxybenzene
CID 174542706
1,3-bis(4-methoxyphenyl)urea
CID 139045428

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenoxy)carbamic acid?
The IUPAC name of (4-methoxyphenoxy)carbamic acid (CID 152670091) is (4-methoxyphenoxy)carbamic acid.
What is the SMILES notation for (4-methoxyphenoxy)carbamic acid?
The canonical SMILES for (4-methoxyphenoxy)carbamic acid is COc1ccc(ONC(=O)O)cc1.
What is the InChIKey of (4-methoxyphenoxy)carbamic acid?
The InChIKey is VGEREDGPBHUHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-12-6-2-4-7(5-3-6)13-9-8(10)11/h2-5,9H,1H3,(H,10,11).
What are the key properties of (4-methoxyphenoxy)carbamic acid?
(4-methoxyphenoxy)carbamic acid has a molecular weight of 183.16 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenoxy)carbamic acid is sourced from PubChem (CID 152670091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).