(Z)-3-(3-chlorophenyl)-3-cyclopropylprop-2-en-1-ol

C12H13ClO — CID 115026219

IUPAC(Z)-3-(3-chlorophenyl)-3-cyclopropylprop-2-en-1-ol
SMILESOC/C=C(\c1cccc(Cl)c1)C1CC1
InChIInChI=1S/C12H13ClO/c13-11-3-1-2-10(8-11)12(6-7-14)9-4-5-9/h1-3,6,8-9,14H,4-5,7H2/b12-6-
InChIKeyBZNAZKFROXSXIH-SDQBBNPISA-N
MW208.69 g/mol
LogP3.13
Rot. Bonds3

About (Z)-3-(3-chlorophenyl)-3-cyclopropylprop-2-en-1-ol

(Z)-3-(3-chlorophenyl)-3-cyclopropylprop-2-en-1-ol (PubChem CID 115026219) has the molecular formula C12H13ClO and a molecular weight of 208.69 g/mol. Its IUPAC name is (Z)-3-(3-chlorophenyl)-3-cyclopropylprop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-(3-chlorophenyl)-3-cyclopropylprop-2-en-1-ol
PubChem CID115026219
Molecular FormulaC12H13ClO
Molecular Weight208.69 g/mol
Exact Mass208.07
IUPAC Name(Z)-3-(3-chlorophenyl)-3-cyclopropylprop-2-en-1-ol
SMILESOC/C=C(\c1cccc(Cl)c1)C1CC1
InChIInChI=1S/C12H13ClO/c13-11-3-1-2-10(8-11)12(6-7-14)9-4-5-9/h1-3,6,8-9,14H,4-5,7H2/b12-6-
InChIKeyBZNAZKFROXSXIH-SDQBBNPISA-N
XLogP3.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-chlorophenyl)-3-cyclopropylprop-2-en-1-ol?
The IUPAC name of (Z)-3-(3-chlorophenyl)-3-cyclopropylprop-2-en-1-ol (CID 115026219) is (Z)-3-(3-chlorophenyl)-3-cyclopropylprop-2-en-1-ol.
What is the SMILES notation for (Z)-3-(3-chlorophenyl)-3-cyclopropylprop-2-en-1-ol?
The canonical SMILES for (Z)-3-(3-chlorophenyl)-3-cyclopropylprop-2-en-1-ol is OC/C=C(\c1cccc(Cl)c1)C1CC1.
What is the InChIKey of (Z)-3-(3-chlorophenyl)-3-cyclopropylprop-2-en-1-ol?
The InChIKey is BZNAZKFROXSXIH-SDQBBNPISA-N. The full InChI is InChI=1S/C12H13ClO/c13-11-3-1-2-10(8-11)12(6-7-14)9-4-5-9/h1-3,6,8-9,14H,4-5,7H2/b12-6-.
What are the key properties of (Z)-3-(3-chlorophenyl)-3-cyclopropylprop-2-en-1-ol?
(Z)-3-(3-chlorophenyl)-3-cyclopropylprop-2-en-1-ol has a molecular weight of 208.69 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-chlorophenyl)-3-cyclopropylprop-2-en-1-ol is sourced from PubChem (CID 115026219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).