[2,2-dichloro-3-(4-chlorophenyl)-3-hydroxypropyl] carbamate

C10H10Cl3NO3 — CID 15131

IUPAC[2,2-dichloro-3-(4-chlorophenyl)-3-hydroxypropyl] carbamate
SMILESNC(=O)OCC(Cl)(Cl)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C10H10Cl3NO3/c11-7-3-1-6(2-4-7)8(15)10(12,13)5-17-9(14)16/h1-4,8,15H,5H2,(H2,14,16)
InChIKeyRENLSHPSGMACFW-UHFFFAOYSA-N
MW298.55 g/mol
LogP2.64
Rot. Bonds4

About [2,2-dichloro-3-(4-chlorophenyl)-3-hydroxypropyl] carbamate

[2,2-dichloro-3-(4-chlorophenyl)-3-hydroxypropyl] carbamate (PubChem CID 15131) has the molecular formula C10H10Cl3NO3 and a molecular weight of 298.55 g/mol. Its IUPAC name is [2,2-dichloro-3-(4-chlorophenyl)-3-hydroxypropyl] carbamate.

Molecular Properties

Compound Name[2,2-dichloro-3-(4-chlorophenyl)-3-hydroxypropyl] carbamate
PubChem CID15131
Molecular FormulaC10H10Cl3NO3
Molecular Weight298.55 g/mol
Exact Mass296.97
IUPAC Name[2,2-dichloro-3-(4-chlorophenyl)-3-hydroxypropyl] carbamate
SMILESNC(=O)OCC(Cl)(Cl)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C10H10Cl3NO3/c11-7-3-1-6(2-4-7)8(15)10(12,13)5-17-9(14)16/h1-4,8,15H,5H2,(H2,14,16)
InChIKeyRENLSHPSGMACFW-UHFFFAOYSA-N
XLogP2.64
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.55
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Carisbamate
CID 6918474
4-Chloro-alpha-(trichloromethyl)benzenemethanol
CID 21417
Benzeneethanol, 4-chloro-alpha-methyl-, 1-carbamate
CID 12843
2,2-Dichloro-3-hydroxy-3-phenylpropyl hydrogen carbonimidate
CID 14590
Jbpos-0101
CID 57524523
Carbamic acid, 3-(o-chlorophenyl)-2,2-dichloro-3-hydroxypropyl ester
CID 19109
Carbamic acid, 3-(m-chlorophenyl)-2,2-dichloro-3-hydroxypropyl ester
CID 19110
1-(4-Chlorophenyl)-2,2-dimethyl-1,3-propanediol-3-carbamate
CID 3481451
Carbamic acid, 3-hydroxy-3-phenylpropyl ester
CID 572086
(R)-Carisbamate
CID 9942577
2-(2-Chlorophenyl)-2-hydroxyethyl carbamate
CID 9964482
4-Chlorobenzyl carbamate
CID 13433129

Frequently Asked Questions

What is the IUPAC name of [2,2-dichloro-3-(4-chlorophenyl)-3-hydroxypropyl] carbamate?
The IUPAC name of [2,2-dichloro-3-(4-chlorophenyl)-3-hydroxypropyl] carbamate (CID 15131) is [2,2-dichloro-3-(4-chlorophenyl)-3-hydroxypropyl] carbamate.
What is the SMILES notation for [2,2-dichloro-3-(4-chlorophenyl)-3-hydroxypropyl] carbamate?
The canonical SMILES for [2,2-dichloro-3-(4-chlorophenyl)-3-hydroxypropyl] carbamate is NC(=O)OCC(Cl)(Cl)C(O)c1ccc(Cl)cc1.
What is the InChIKey of [2,2-dichloro-3-(4-chlorophenyl)-3-hydroxypropyl] carbamate?
The InChIKey is RENLSHPSGMACFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl3NO3/c11-7-3-1-6(2-4-7)8(15)10(12,13)5-17-9(14)16/h1-4,8,15H,5H2,(H2,14,16).
What are the key properties of [2,2-dichloro-3-(4-chlorophenyl)-3-hydroxypropyl] carbamate?
[2,2-dichloro-3-(4-chlorophenyl)-3-hydroxypropyl] carbamate has a molecular weight of 298.55 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dichloro-3-(4-chlorophenyl)-3-hydroxypropyl] carbamate is sourced from PubChem (CID 15131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).