2-(2-chlorophenyl)ethyl carbamate;methoxymethanol

C11H16ClNO4 — CID 144705844

IUPAC2-(2-chlorophenyl)ethyl carbamate;methoxymethanol
SMILESCOCO.NC(=O)OCCc1ccccc1Cl
InChIInChI=1S/C9H10ClNO2.C2H6O2/c10-8-4-2-1-3-7(8)5-6-13-9(11)12;1-4-2-3/h1-4H,5-6H2,(H2,11,12);3H,2H2,1H3
InChIKeyFHXFEBVYAAXHLI-UHFFFAOYSA-N
MW261.70 g/mol
LogP1.56
Rot. Bonds4

About 2-(2-chlorophenyl)ethyl carbamate;methoxymethanol

2-(2-chlorophenyl)ethyl carbamate;methoxymethanol (PubChem CID 144705844) has the molecular formula C11H16ClNO4 and a molecular weight of 261.70 g/mol. Its IUPAC name is 2-(2-chlorophenyl)ethyl carbamate;methoxymethanol.

Molecular Properties

Compound Name2-(2-chlorophenyl)ethyl carbamate;methoxymethanol
PubChem CID144705844
Molecular FormulaC11H16ClNO4
Molecular Weight261.70 g/mol
Exact Mass261.08
IUPAC Name2-(2-chlorophenyl)ethyl carbamate;methoxymethanol
SMILESCOCO.NC(=O)OCCc1ccccc1Cl
InChIInChI=1S/C9H10ClNO2.C2H6O2/c10-8-4-2-1-3-7(8)5-6-13-9(11)12;1-4-2-3/h1-4H,5-6H2,(H2,11,12);3H,2H2,1H3
InChIKeyFHXFEBVYAAXHLI-UHFFFAOYSA-N
XLogP1.56
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.70
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenyl)ethyl prop-2-enoate
CID 18316827
carbamoyl 3-(2-chlorophenyl)propanoate
CID 174469529
2-(3-amino-2-chlorophenyl)ethyl carbamate
CID 142788747
2-(2-chlorophenyl)ethyl N-[(2-methoxyphenyl)methyl]carbamate
CID 6735895
1-O-butyl 10-O-[2-(2-chlorophenyl)ethyl] decanedioate
CID 91715987
(2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-methoxy-2-methylpropanamide
CID 95767278
3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
CID 115902164
1-chloro-2-[2-[2-[2-[2-(2-chlorophenyl)ethoxy]ethoxy]ethoxy]ethyl]benzene
CID 142632272
2-(2-chlorophenyl)ethanol;ethane
CID 142279480
3-(2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 82725506
2-(2-chlorophenyl)ethyl imidazole-1-carboxylate
CID 143792756
1-chloro-2-(2-propan-2-yloxyethyl)benzene
CID 91691644

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)ethyl carbamate;methoxymethanol?
The IUPAC name of 2-(2-chlorophenyl)ethyl carbamate;methoxymethanol (CID 144705844) is 2-(2-chlorophenyl)ethyl carbamate;methoxymethanol.
What is the SMILES notation for 2-(2-chlorophenyl)ethyl carbamate;methoxymethanol?
The canonical SMILES for 2-(2-chlorophenyl)ethyl carbamate;methoxymethanol is COCO.NC(=O)OCCc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)ethyl carbamate;methoxymethanol?
The InChIKey is FHXFEBVYAAXHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2.C2H6O2/c10-8-4-2-1-3-7(8)5-6-13-9(11)12;1-4-2-3/h1-4H,5-6H2,(H2,11,12);3H,2H2,1H3.
What are the key properties of 2-(2-chlorophenyl)ethyl carbamate;methoxymethanol?
2-(2-chlorophenyl)ethyl carbamate;methoxymethanol has a molecular weight of 261.70 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)ethyl carbamate;methoxymethanol is sourced from PubChem (CID 144705844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).