(2-hydroxy-4,6-dimethoxyphenyl)methylcarbamic acid

C10H13NO5 — CID 172824668

IUPAC(2-hydroxy-4,6-dimethoxyphenyl)methylcarbamic acid
SMILESCOc1cc(O)c(CNC(=O)O)c(OC)c1
InChIInChI=1S/C10H13NO5/c1-15-6-3-8(12)7(5-11-10(13)14)9(4-6)16-2/h3-4,11-12H,5H2,1-2H3,(H,13,14)
InChIKeyURTPUWNELYNHIK-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.18
Rot. Bonds4

About (2-hydroxy-4,6-dimethoxyphenyl)methylcarbamic acid

(2-hydroxy-4,6-dimethoxyphenyl)methylcarbamic acid (PubChem CID 172824668) has the molecular formula C10H13NO5 and a molecular weight of 227.22 g/mol. Its IUPAC name is (2-hydroxy-4,6-dimethoxyphenyl)methylcarbamic acid.

Molecular Properties

Compound Name(2-hydroxy-4,6-dimethoxyphenyl)methylcarbamic acid
PubChem CID172824668
Molecular FormulaC10H13NO5
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Name(2-hydroxy-4,6-dimethoxyphenyl)methylcarbamic acid
SMILESCOc1cc(O)c(CNC(=O)O)c(OC)c1
InChIInChI=1S/C10H13NO5/c1-15-6-3-8(12)7(5-11-10(13)14)9(4-6)16-2/h3-4,11-12H,5H2,1-2H3,(H,13,14)
InChIKeyURTPUWNELYNHIK-UHFFFAOYSA-N
XLogP1.18
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(2,4-dimethoxy-6-methylphenyl)methyl]carbamoyl chloride
CID 115194702
(3,5-dimethoxyphenyl)methylcarbamic acid
CID 67370524
2-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide
CID 110784312
1-propyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea
CID 47330110
1-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]formamide
CID 115172240
3-amino-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119295082
(2S)-2-amino-3,3-dimethyl-N-[(2,4,6-trimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119733862
3-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]propanamide
CID 115173817
1-hydroxy-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(4-methoxyphenyl)propan-2-one
CID 54483282
N-[(2,4,6-trimethoxyphenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110784320
methyl 3-(2,4,6-trimethoxyphenyl)propanoate
CID 25107739
methyl 3-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylpropanoate
CID 116927600

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4,6-dimethoxyphenyl)methylcarbamic acid?
The IUPAC name of (2-hydroxy-4,6-dimethoxyphenyl)methylcarbamic acid (CID 172824668) is (2-hydroxy-4,6-dimethoxyphenyl)methylcarbamic acid.
What is the SMILES notation for (2-hydroxy-4,6-dimethoxyphenyl)methylcarbamic acid?
The canonical SMILES for (2-hydroxy-4,6-dimethoxyphenyl)methylcarbamic acid is COc1cc(O)c(CNC(=O)O)c(OC)c1.
What is the InChIKey of (2-hydroxy-4,6-dimethoxyphenyl)methylcarbamic acid?
The InChIKey is URTPUWNELYNHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5/c1-15-6-3-8(12)7(5-11-10(13)14)9(4-6)16-2/h3-4,11-12H,5H2,1-2H3,(H,13,14).
What are the key properties of (2-hydroxy-4,6-dimethoxyphenyl)methylcarbamic acid?
(2-hydroxy-4,6-dimethoxyphenyl)methylcarbamic acid has a molecular weight of 227.22 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4,6-dimethoxyphenyl)methylcarbamic acid is sourced from PubChem (CID 172824668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).