(E)-3-chloro-3-(4-chlorophenyl)prop-2-en-1-ol

C9H8Cl2O — CID 87277386

IUPAC(E)-3-chloro-3-(4-chlorophenyl)prop-2-en-1-ol
SMILESOC/C=C(/Cl)c1ccc(Cl)cc1
InChIInChI=1S/C9H8Cl2O/c10-8-3-1-7(2-4-8)9(11)5-6-12/h1-5,12H,6H2/b9-5+
InChIKeyHBIGVCFTBQLPDH-WEVVVXLNSA-N
MW203.07 g/mol
LogP2.91
Rot. Bonds2

About (E)-3-chloro-3-(4-chlorophenyl)prop-2-en-1-ol

(E)-3-chloro-3-(4-chlorophenyl)prop-2-en-1-ol (PubChem CID 87277386) has the molecular formula C9H8Cl2O and a molecular weight of 203.07 g/mol. Its IUPAC name is (E)-3-chloro-3-(4-chlorophenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-chloro-3-(4-chlorophenyl)prop-2-en-1-ol
PubChem CID87277386
Molecular FormulaC9H8Cl2O
Molecular Weight203.07 g/mol
Exact Mass202.00
IUPAC Name(E)-3-chloro-3-(4-chlorophenyl)prop-2-en-1-ol
SMILESOC/C=C(/Cl)c1ccc(Cl)cc1
InChIInChI=1S/C9H8Cl2O/c10-8-3-1-7(2-4-8)9(11)5-6-12/h1-5,12H,6H2/b9-5+
InChIKeyHBIGVCFTBQLPDH-WEVVVXLNSA-N
XLogP2.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.07
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-3-chloro-3-(4-chlorophenyl)prop-2-en-1-ol?
The IUPAC name of (E)-3-chloro-3-(4-chlorophenyl)prop-2-en-1-ol (CID 87277386) is (E)-3-chloro-3-(4-chlorophenyl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-chloro-3-(4-chlorophenyl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-chloro-3-(4-chlorophenyl)prop-2-en-1-ol is OC/C=C(/Cl)c1ccc(Cl)cc1.
What is the InChIKey of (E)-3-chloro-3-(4-chlorophenyl)prop-2-en-1-ol?
The InChIKey is HBIGVCFTBQLPDH-WEVVVXLNSA-N. The full InChI is InChI=1S/C9H8Cl2O/c10-8-3-1-7(2-4-8)9(11)5-6-12/h1-5,12H,6H2/b9-5+.
What are the key properties of (E)-3-chloro-3-(4-chlorophenyl)prop-2-en-1-ol?
(E)-3-chloro-3-(4-chlorophenyl)prop-2-en-1-ol has a molecular weight of 203.07 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chloro-3-(4-chlorophenyl)prop-2-en-1-ol is sourced from PubChem (CID 87277386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).