[2-hydroxy-2-(2-methylphenyl)propyl]carbamic acid

C11H15NO3 — CID 118168944

IUPAC[2-hydroxy-2-(2-methylphenyl)propyl]carbamic acid
SMILESCc1ccccc1C(C)(O)CNC(=O)O
InChIInChI=1S/C11H15NO3/c1-8-5-3-4-6-9(8)11(2,15)7-12-10(13)14/h3-6,12,15H,7H2,1-2H3,(H,13,14)
InChIKeyRDSQKXHHGAUSND-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.47
Rot. Bonds3

About [2-hydroxy-2-(2-methylphenyl)propyl]carbamic acid

[2-hydroxy-2-(2-methylphenyl)propyl]carbamic acid (PubChem CID 118168944) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is [2-hydroxy-2-(2-methylphenyl)propyl]carbamic acid.

Molecular Properties

Compound Name[2-hydroxy-2-(2-methylphenyl)propyl]carbamic acid
PubChem CID118168944
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name[2-hydroxy-2-(2-methylphenyl)propyl]carbamic acid
SMILESCc1ccccc1C(C)(O)CNC(=O)O
InChIInChI=1S/C11H15NO3/c1-8-5-3-4-6-9(8)11(2,15)7-12-10(13)14/h3-6,12,15H,7H2,1-2H3,(H,13,14)
InChIKeyRDSQKXHHGAUSND-UHFFFAOYSA-N
XLogP1.47
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[2,5-dihydroxy-2-(2-methylphenyl)pentyl]carbamic acid
CID 121416282
N-(2-hydroxy-2-phenylpropyl)-2-methylbenzamide
CID 110663960
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2-methylbenzamide
CID 121085663
2-chloroacetic acid;2-(2-methylphenyl)propan-2-amine
CID 173188958
2-hydroxy-2-methyl-3-(2-methylanilino)propanoic acid
CID 104643822
3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide
CID 110025392
(2R)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-hydroxy-2-phenylacetamide
CID 122132789
N-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide
CID 110663962
N-(2-hydroxy-2-phenylpropyl)-3-methylfuran-2-carboxamide
CID 111335077
2-amino-N-[2-methyl-2-(2-methylphenyl)propyl]-2-phenylacetamide
CID 119308090
2-(methylamino)-N-[2-methyl-2-(2-methylphenyl)propyl]acetamide;hydrochloride
CID 119756879
N-(2-hydroxy-2-phenylpropyl)-3,5-dimethylbenzamide
CID 111334967

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-2-(2-methylphenyl)propyl]carbamic acid?
The IUPAC name of [2-hydroxy-2-(2-methylphenyl)propyl]carbamic acid (CID 118168944) is [2-hydroxy-2-(2-methylphenyl)propyl]carbamic acid.
What is the SMILES notation for [2-hydroxy-2-(2-methylphenyl)propyl]carbamic acid?
The canonical SMILES for [2-hydroxy-2-(2-methylphenyl)propyl]carbamic acid is Cc1ccccc1C(C)(O)CNC(=O)O.
What is the InChIKey of [2-hydroxy-2-(2-methylphenyl)propyl]carbamic acid?
The InChIKey is RDSQKXHHGAUSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8-5-3-4-6-9(8)11(2,15)7-12-10(13)14/h3-6,12,15H,7H2,1-2H3,(H,13,14).
What are the key properties of [2-hydroxy-2-(2-methylphenyl)propyl]carbamic acid?
[2-hydroxy-2-(2-methylphenyl)propyl]carbamic acid has a molecular weight of 209.25 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-2-(2-methylphenyl)propyl]carbamic acid is sourced from PubChem (CID 118168944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).