(4-hydroxy-3-methoxyphenyl)methyl-phenoxycarbamic acid

C15H15NO5 — CID 88959300

IUPAC(4-hydroxy-3-methoxyphenyl)methyl-phenoxycarbamic acid
SMILESCOc1cc(CN(Oc2ccccc2)C(=O)O)ccc1O
InChIInChI=1S/C15H15NO5/c1-20-14-9-11(7-8-13(14)17)10-16(15(18)19)21-12-5-3-2-4-6-12/h2-9,17H,10H2,1H3,(H,18,19)
InChIKeyJMJDAOFPVFIWEO-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.87
Rot. Bonds5

About (4-hydroxy-3-methoxyphenyl)methyl-phenoxycarbamic acid

(4-hydroxy-3-methoxyphenyl)methyl-phenoxycarbamic acid (PubChem CID 88959300) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is (4-hydroxy-3-methoxyphenyl)methyl-phenoxycarbamic acid.

Molecular Properties

Compound Name(4-hydroxy-3-methoxyphenyl)methyl-phenoxycarbamic acid
PubChem CID88959300
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name(4-hydroxy-3-methoxyphenyl)methyl-phenoxycarbamic acid
SMILESCOc1cc(CN(Oc2ccccc2)C(=O)O)ccc1O
InChIInChI=1S/C15H15NO5/c1-20-14-9-11(7-8-13(14)17)10-16(15(18)19)21-12-5-3-2-4-6-12/h2-9,17H,10H2,1H3,(H,18,19)
InChIKeyJMJDAOFPVFIWEO-UHFFFAOYSA-N
XLogP2.87
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(N-benzylanilino)methyl]-2-methoxyphenol
CID 174576798
4-[[benzenesulfonyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]methyl]benzoic acid
CID 90697398
2-phenoxyethyl 2-(4-hydroxy-3-methoxyphenyl)acetate
CID 134231770
2-(4-hydroxy-3-methoxyphenyl)acetic acid;hydrate
CID 141474134
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 64592034
4-[(4-hydroxy-3-methoxyphenyl)methyl-methylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992880
ethyl(phenoxy)carbamic acid
CID 87330615
3-benzyl-4-(4-hydroxy-3-methoxyphenyl)butan-2-one
CID 150139580
(N-benzyl-4-hydroxy-3-methoxyanilino) acetate
CID 87717375
acetic acid;butane-2,3-dione;4-(hydroxymethyl)-2-methoxyphenol
CID 175343442
butanedioic acid;4-(hydroxymethyl)-2-methoxyphenol
CID 174397560
1-[(4-hydroxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)-3-phenylurea
CID 129012475

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-methoxyphenyl)methyl-phenoxycarbamic acid?
The IUPAC name of (4-hydroxy-3-methoxyphenyl)methyl-phenoxycarbamic acid (CID 88959300) is (4-hydroxy-3-methoxyphenyl)methyl-phenoxycarbamic acid.
What is the SMILES notation for (4-hydroxy-3-methoxyphenyl)methyl-phenoxycarbamic acid?
The canonical SMILES for (4-hydroxy-3-methoxyphenyl)methyl-phenoxycarbamic acid is COc1cc(CN(Oc2ccccc2)C(=O)O)ccc1O.
What is the InChIKey of (4-hydroxy-3-methoxyphenyl)methyl-phenoxycarbamic acid?
The InChIKey is JMJDAOFPVFIWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-20-14-9-11(7-8-13(14)17)10-16(15(18)19)21-12-5-3-2-4-6-12/h2-9,17H,10H2,1H3,(H,18,19).
What are the key properties of (4-hydroxy-3-methoxyphenyl)methyl-phenoxycarbamic acid?
(4-hydroxy-3-methoxyphenyl)methyl-phenoxycarbamic acid has a molecular weight of 289.29 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3-methoxyphenyl)methyl-phenoxycarbamic acid is sourced from PubChem (CID 88959300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).