(4-hydroxy-3-methoxybenzoyl)carbamic acid

C9H9NO5 — CID 140993168

IUPAC(4-hydroxy-3-methoxybenzoyl)carbamic acid
SMILESCOc1cc(C(=O)NC(=O)O)ccc1O
InChIInChI=1S/C9H9NO5/c1-15-7-4-5(2-3-6(7)11)8(12)10-9(13)14/h2-4,11H,1H3,(H,10,12)(H,13,14)
InChIKeyAQAOJWSMBCFKHB-UHFFFAOYSA-N
MW211.17 g/mol
LogP0.81
Rot. Bonds2

About (4-hydroxy-3-methoxybenzoyl)carbamic acid

(4-hydroxy-3-methoxybenzoyl)carbamic acid (PubChem CID 140993168) has the molecular formula C9H9NO5 and a molecular weight of 211.17 g/mol. Its IUPAC name is (4-hydroxy-3-methoxybenzoyl)carbamic acid.

Molecular Properties

Compound Name(4-hydroxy-3-methoxybenzoyl)carbamic acid
PubChem CID140993168
Molecular FormulaC9H9NO5
Molecular Weight211.17 g/mol
Exact Mass211.05
IUPAC Name(4-hydroxy-3-methoxybenzoyl)carbamic acid
SMILESCOc1cc(C(=O)NC(=O)O)ccc1O
InChIInChI=1S/C9H9NO5/c1-15-7-4-5(2-3-6(7)11)8(12)10-9(13)14/h2-4,11H,1H3,(H,10,12)(H,13,14)
InChIKeyAQAOJWSMBCFKHB-UHFFFAOYSA-N
XLogP0.81
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-3-methoxybenzoic acid;hydrate
CID 118665847
acetic acid;1-(4-hydroxy-3-methoxyphenyl)ethanone
CID 66599170
1,3-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-dione
CID 143339753
3-[(4-hydroxy-3-methoxybenzoyl)amino]propanoic acid
CID 68549525
benzoic acid;4-hydroxy-3-methoxybenzoic acid
CID 159798679
N-(4-bromophenyl)-4-hydroxy-3-methoxybenzamide
CID 29261071
6-[(4-hydroxy-3-methoxybenzoyl)amino]hexanoic acid
CID 54200792
3-acetamido-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid;acetic acid
CID 70363535
(4-methoxy-3-nitrobenzoyl)carbamic acid;hydrochloride
CID 70634064
2,2,2-trideuterio-1-(4-hydroxy-3-methoxyphenyl)ethanone
CID 170987993
N-hexyl-4-hydroxy-3-methoxybenzamide
CID 177108145
3,4-dichloro-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 4131490

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-methoxybenzoyl)carbamic acid?
The IUPAC name of (4-hydroxy-3-methoxybenzoyl)carbamic acid (CID 140993168) is (4-hydroxy-3-methoxybenzoyl)carbamic acid.
What is the SMILES notation for (4-hydroxy-3-methoxybenzoyl)carbamic acid?
The canonical SMILES for (4-hydroxy-3-methoxybenzoyl)carbamic acid is COc1cc(C(=O)NC(=O)O)ccc1O.
What is the InChIKey of (4-hydroxy-3-methoxybenzoyl)carbamic acid?
The InChIKey is AQAOJWSMBCFKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO5/c1-15-7-4-5(2-3-6(7)11)8(12)10-9(13)14/h2-4,11H,1H3,(H,10,12)(H,13,14).
What are the key properties of (4-hydroxy-3-methoxybenzoyl)carbamic acid?
(4-hydroxy-3-methoxybenzoyl)carbamic acid has a molecular weight of 211.17 g/mol, XLogP of 0.81, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3-methoxybenzoyl)carbamic acid is sourced from PubChem (CID 140993168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).