[2-(3-chlorophenyl)-1-methoxypropan-2-yl] carbamate

C11H14ClNO3 — CID 175520847

IUPAC[2-(3-chlorophenyl)-1-methoxypropan-2-yl] carbamate
SMILESCOCC(C)(OC(N)=O)c1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO3/c1-11(7-15-2,16-10(13)14)8-4-3-5-9(12)6-8/h3-6H,7H2,1-2H3,(H2,13,14)
InChIKeyDRJBSMUJLVLSOH-UHFFFAOYSA-N
MW243.69 g/mol
LogP2.30
Rot. Bonds4

About [2-(3-chlorophenyl)-1-methoxypropan-2-yl] carbamate

[2-(3-chlorophenyl)-1-methoxypropan-2-yl] carbamate (PubChem CID 175520847) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is [2-(3-chlorophenyl)-1-methoxypropan-2-yl] carbamate.

Molecular Properties

Compound Name[2-(3-chlorophenyl)-1-methoxypropan-2-yl] carbamate
PubChem CID175520847
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name[2-(3-chlorophenyl)-1-methoxypropan-2-yl] carbamate
SMILESCOCC(C)(OC(N)=O)c1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO3/c1-11(7-15-2,16-10(13)14)8-4-3-5-9(12)6-8/h3-6H,7H2,1-2H3,(H2,13,14)
InChIKeyDRJBSMUJLVLSOH-UHFFFAOYSA-N
XLogP2.30
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(3-chlorophenyl)-2,3-dimethylbutanoate
CID 117047944
methyl 4-amino-3-(3-chlorophenyl)-3,4-dimethylpentanoate
CID 66098598
1-[1-bromo-2-(bromomethyl)-3-methoxypropan-2-yl]-3-chlorobenzene
CID 103985355
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyethyl)urea
CID 90600185
tert-butyl 2-amino-2-(3-chlorophenyl)propanoate;hydrochloride
CID 138401045
3-amino-3-(3-chlorophenyl)butanoic acid
CID 64664943
2-(3-chlorophenyl)-2-methylpropanoic acid
CID 15582644
1-chloro-3-(2-isothiocyanato-1-methoxypropan-2-yl)benzene
CID 170537479
tert-butyl 3-(3-chlorophenyl)-3-hydroxy-2-methylbutanoate
CID 66338727
1-tert-butyl-3-chlorobenzene;methyl formate
CID 156883526
methyl 2-(3-chlorophenyl)-2-fluoro-2-phenylacetate
CID 165389116
2-amino-4-(3-chlorophenyl)-4-methylpent-2-enoic acid
CID 67726133

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)-1-methoxypropan-2-yl] carbamate?
The IUPAC name of [2-(3-chlorophenyl)-1-methoxypropan-2-yl] carbamate (CID 175520847) is [2-(3-chlorophenyl)-1-methoxypropan-2-yl] carbamate.
What is the SMILES notation for [2-(3-chlorophenyl)-1-methoxypropan-2-yl] carbamate?
The canonical SMILES for [2-(3-chlorophenyl)-1-methoxypropan-2-yl] carbamate is COCC(C)(OC(N)=O)c1cccc(Cl)c1.
What is the InChIKey of [2-(3-chlorophenyl)-1-methoxypropan-2-yl] carbamate?
The InChIKey is DRJBSMUJLVLSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-11(7-15-2,16-10(13)14)8-4-3-5-9(12)6-8/h3-6H,7H2,1-2H3,(H2,13,14).
What are the key properties of [2-(3-chlorophenyl)-1-methoxypropan-2-yl] carbamate?
[2-(3-chlorophenyl)-1-methoxypropan-2-yl] carbamate has a molecular weight of 243.69 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)-1-methoxypropan-2-yl] carbamate is sourced from PubChem (CID 175520847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).