(2-methylphenyl) N-(1-hydroxyethyl)carbamate

C10H13NO3 — CID 175546454

IUPAC(2-methylphenyl) N-(1-hydroxyethyl)carbamate
SMILESCc1ccccc1OC(=O)NC(C)O
InChIInChI=1S/C10H13NO3/c1-7-5-3-4-6-9(7)14-10(13)11-8(2)12/h3-6,8,12H,1-2H3,(H,11,13)
InChIKeyQRFHQYRBGGIDQS-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.42
Rot. Bonds2

About (2-methylphenyl) N-(1-hydroxyethyl)carbamate

(2-methylphenyl) N-(1-hydroxyethyl)carbamate (PubChem CID 175546454) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (2-methylphenyl) N-(1-hydroxyethyl)carbamate.

Molecular Properties

Compound Name(2-methylphenyl) N-(1-hydroxyethyl)carbamate
PubChem CID175546454
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(2-methylphenyl) N-(1-hydroxyethyl)carbamate
SMILESCc1ccccc1OC(=O)NC(C)O
InChIInChI=1S/C10H13NO3/c1-7-5-3-4-6-9(7)14-10(13)11-8(2)12/h3-6,8,12H,1-2H3,(H,11,13)
InChIKeyQRFHQYRBGGIDQS-UHFFFAOYSA-N
XLogP1.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2-methylphenyl) N-[6-[(2-methylphenoxy)carbonylamino]hexyl]carbamate
CID 4683579
(2-methoxyphenyl) N-propan-2-ylcarbamate
CID 2802349
trimethyl-[[(2-methylphenoxy)carbonylamino]methyl]azanium chloride
CID 21397606
(2-methylphenyl) 4-methylpentanoate
CID 78776879
(2-methylphenyl) 3-sulfanylbutanoate
CID 118306824
(2-methylphenyl) 2-(propanoylamino)acetate
CID 110670244
2-[(2-chlorophenoxy)carbonylamino]propanoic acid
CID 83825067
(2-methylphenyl) N-(2-cyanoethyl)carbamate
CID 116819846
(2-methylphenyl) N-pyridin-2-ylcarbamate
CID 127542519
(2-methylphenyl) 2-methoxycarbonyloxybenzoate
CID 69024261
(2-methylphenyl) 2-methylpentanoate
CID 68905872
(2-methylphenyl) 2-ethylbutanoate
CID 78776856

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl) N-(1-hydroxyethyl)carbamate?
The IUPAC name of (2-methylphenyl) N-(1-hydroxyethyl)carbamate (CID 175546454) is (2-methylphenyl) N-(1-hydroxyethyl)carbamate.
What is the SMILES notation for (2-methylphenyl) N-(1-hydroxyethyl)carbamate?
The canonical SMILES for (2-methylphenyl) N-(1-hydroxyethyl)carbamate is Cc1ccccc1OC(=O)NC(C)O.
What is the InChIKey of (2-methylphenyl) N-(1-hydroxyethyl)carbamate?
The InChIKey is QRFHQYRBGGIDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-7-5-3-4-6-9(7)14-10(13)11-8(2)12/h3-6,8,12H,1-2H3,(H,11,13).
What are the key properties of (2-methylphenyl) N-(1-hydroxyethyl)carbamate?
(2-methylphenyl) N-(1-hydroxyethyl)carbamate has a molecular weight of 195.22 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl) N-(1-hydroxyethyl)carbamate is sourced from PubChem (CID 175546454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).