1-(2-chlorophenyl)-2-ethenylidenehexan-1-ol

C14H17ClO — CID 24879642

IUPAC1-(2-chlorophenyl)-2-ethenylidenehexan-1-ol
SMILESC=C=C(CCCC)C(O)c1ccccc1Cl
InChIInChI=1S/C14H17ClO/c1-3-5-8-11(4-2)14(16)12-9-6-7-10-13(12)15/h6-7,9-10,14,16H,2-3,5,8H2,1H3
InChIKeyGJBNRHHWVGZDJD-UHFFFAOYSA-N
MW236.74 g/mol
LogP4.27
Rot. Bonds5

About 1-(2-chlorophenyl)-2-ethenylidenehexan-1-ol

1-(2-chlorophenyl)-2-ethenylidenehexan-1-ol (PubChem CID 24879642) has the molecular formula C14H17ClO and a molecular weight of 236.74 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-ethenylidenehexan-1-ol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-ethenylidenehexan-1-ol
PubChem CID24879642
Molecular FormulaC14H17ClO
Molecular Weight236.74 g/mol
Exact Mass236.10
IUPAC Name1-(2-chlorophenyl)-2-ethenylidenehexan-1-ol
SMILESC=C=C(CCCC)C(O)c1ccccc1Cl
InChIInChI=1S/C14H17ClO/c1-3-5-8-11(4-2)14(16)12-9-6-7-10-13(12)15/h6-7,9-10,14,16H,2-3,5,8H2,1H3
InChIKeyGJBNRHHWVGZDJD-UHFFFAOYSA-N
XLogP4.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-ethenylidenehexan-1-ol?
The IUPAC name of 1-(2-chlorophenyl)-2-ethenylidenehexan-1-ol (CID 24879642) is 1-(2-chlorophenyl)-2-ethenylidenehexan-1-ol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-ethenylidenehexan-1-ol?
The canonical SMILES for 1-(2-chlorophenyl)-2-ethenylidenehexan-1-ol is C=C=C(CCCC)C(O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-ethenylidenehexan-1-ol?
The InChIKey is GJBNRHHWVGZDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO/c1-3-5-8-11(4-2)14(16)12-9-6-7-10-13(12)15/h6-7,9-10,14,16H,2-3,5,8H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-2-ethenylidenehexan-1-ol?
1-(2-chlorophenyl)-2-ethenylidenehexan-1-ol has a molecular weight of 236.74 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-ethenylidenehexan-1-ol is sourced from PubChem (CID 24879642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).