(2-iodo-6-methoxyphenyl)carbamic acid

C8H8INO3 — CID 69416969

IUPAC(2-iodo-6-methoxyphenyl)carbamic acid
SMILESCOc1cccc(I)c1NC(=O)O
InChIInChI=1S/C8H8INO3/c1-13-6-4-2-3-5(9)7(6)10-8(11)12/h2-4,10H,1H3,(H,11,12)
InChIKeyPKBJDLLCHKKHRN-UHFFFAOYSA-N
MW293.06 g/mol
LogP2.39
Rot. Bonds2

About (2-iodo-6-methoxyphenyl)carbamic acid

(2-iodo-6-methoxyphenyl)carbamic acid (PubChem CID 69416969) has the molecular formula C8H8INO3 and a molecular weight of 293.06 g/mol. Its IUPAC name is (2-iodo-6-methoxyphenyl)carbamic acid.

Molecular Properties

Compound Name(2-iodo-6-methoxyphenyl)carbamic acid
PubChem CID69416969
Molecular FormulaC8H8INO3
Molecular Weight293.06 g/mol
Exact Mass292.95
IUPAC Name(2-iodo-6-methoxyphenyl)carbamic acid
SMILESCOc1cccc(I)c1NC(=O)O
InChIInChI=1S/C8H8INO3/c1-13-6-4-2-3-5(9)7(6)10-8(11)12/h2-4,10H,1H3,(H,11,12)
InChIKeyPKBJDLLCHKKHRN-UHFFFAOYSA-N
XLogP2.39
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.06
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-iodo-6-methoxybenzoate
CID 91882308
(2S)-2-amino-2-(2-iodo-6-methoxyphenyl)acetic acid
CID 131029267
(2-fluoro-3-methoxyphenyl)carbamic acid
CID 66876605
N-(4-iodo-2,5-dimethylphenyl)-2,6-dimethoxybenzamide
CID 2204890
3-(2-acetamido-3-methoxyphenyl)propanoic acid
CID 105498839
1-(2,6-dimethoxyphenyl)-3-(4-methylphenyl)urea
CID 108867766
2-chloro-N-(2,6-dimethoxyphenyl)acetamide
CID 20570575
N-(2-acetyl-6-methoxyphenyl)acetamide
CID 117295660
(2-acetamido-3-methoxyphenyl)methanesulfonyl chloride
CID 117445145
1-tert-butyl-3-(2,6-dimethoxyphenyl)urea
CID 108867821
1-(2,6-difluorophenyl)-3-(2,6-dimethoxyphenyl)urea
CID 108867921
3-(2-acetamido-3-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117417062

Frequently Asked Questions

What is the IUPAC name of (2-iodo-6-methoxyphenyl)carbamic acid?
The IUPAC name of (2-iodo-6-methoxyphenyl)carbamic acid (CID 69416969) is (2-iodo-6-methoxyphenyl)carbamic acid.
What is the SMILES notation for (2-iodo-6-methoxyphenyl)carbamic acid?
The canonical SMILES for (2-iodo-6-methoxyphenyl)carbamic acid is COc1cccc(I)c1NC(=O)O.
What is the InChIKey of (2-iodo-6-methoxyphenyl)carbamic acid?
The InChIKey is PKBJDLLCHKKHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8INO3/c1-13-6-4-2-3-5(9)7(6)10-8(11)12/h2-4,10H,1H3,(H,11,12).
What are the key properties of (2-iodo-6-methoxyphenyl)carbamic acid?
(2-iodo-6-methoxyphenyl)carbamic acid has a molecular weight of 293.06 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodo-6-methoxyphenyl)carbamic acid is sourced from PubChem (CID 69416969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).