(2,2-dichloro-3-hydroxy-3-phenylpropyl) carbamate

C10H11Cl2NO3 — CID 14590

IUPAC(2,2-dichloro-3-hydroxy-3-phenylpropyl) carbamate
SMILESNC(=O)OCC(Cl)(Cl)C(O)c1ccccc1
InChIInChI=1S/C10H11Cl2NO3/c11-10(12,6-16-9(13)15)8(14)7-4-2-1-3-5-7/h1-5,8,14H,6H2,(H2,13,15)
InChIKeyKIUGWPDQHKXJHE-UHFFFAOYSA-N
MW264.11 g/mol
LogP1.99
Rot. Bonds4

About (2,2-dichloro-3-hydroxy-3-phenylpropyl) carbamate

(2,2-dichloro-3-hydroxy-3-phenylpropyl) carbamate (PubChem CID 14590) has the molecular formula C10H11Cl2NO3 and a molecular weight of 264.11 g/mol. Its IUPAC name is (2,2-dichloro-3-hydroxy-3-phenylpropyl) carbamate.

Molecular Properties

Compound Name(2,2-dichloro-3-hydroxy-3-phenylpropyl) carbamate
PubChem CID14590
Molecular FormulaC10H11Cl2NO3
Molecular Weight264.11 g/mol
Exact Mass263.01
IUPAC Name(2,2-dichloro-3-hydroxy-3-phenylpropyl) carbamate
SMILESNC(=O)OCC(Cl)(Cl)C(O)c1ccccc1
InChIInChI=1S/C10H11Cl2NO3/c11-10(12,6-16-9(13)15)8(14)7-4-2-1-3-5-7/h1-5,8,14H,6H2,(H2,13,15)
InChIKeyKIUGWPDQHKXJHE-UHFFFAOYSA-N
XLogP1.99
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,2-dichloro-3-hydroxy-3-phenylpropyl) carbamate?
The IUPAC name of (2,2-dichloro-3-hydroxy-3-phenylpropyl) carbamate (CID 14590) is (2,2-dichloro-3-hydroxy-3-phenylpropyl) carbamate.
What is the SMILES notation for (2,2-dichloro-3-hydroxy-3-phenylpropyl) carbamate?
The canonical SMILES for (2,2-dichloro-3-hydroxy-3-phenylpropyl) carbamate is NC(=O)OCC(Cl)(Cl)C(O)c1ccccc1.
What is the InChIKey of (2,2-dichloro-3-hydroxy-3-phenylpropyl) carbamate?
The InChIKey is KIUGWPDQHKXJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO3/c11-10(12,6-16-9(13)15)8(14)7-4-2-1-3-5-7/h1-5,8,14H,6H2,(H2,13,15).
What are the key properties of (2,2-dichloro-3-hydroxy-3-phenylpropyl) carbamate?
(2,2-dichloro-3-hydroxy-3-phenylpropyl) carbamate has a molecular weight of 264.11 g/mol, XLogP of 1.99, 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-hydroxy-3-phenylpropyl) carbamate is sourced from PubChem (CID 14590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).