1-(4-chlorophenyl)-4-methylidenehexan-2-ol

C13H17ClO — CID 66044338

IUPAC1-(4-chlorophenyl)-4-methylidenehexan-2-ol
SMILESC=C(CC)CC(O)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClO/c1-3-10(2)8-13(15)9-11-4-6-12(14)7-5-11/h4-7,13,15H,2-3,8-9H2,1H3
InChIKeyVXNAVFAWAGHMMQ-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.60
Rot. Bonds5

About 1-(4-chlorophenyl)-4-methylidenehexan-2-ol

1-(4-chlorophenyl)-4-methylidenehexan-2-ol (PubChem CID 66044338) has the molecular formula C13H17ClO and a molecular weight of 224.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-methylidenehexan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-methylidenehexan-2-ol
PubChem CID66044338
Molecular FormulaC13H17ClO
Molecular Weight224.73 g/mol
Exact Mass224.10
IUPAC Name1-(4-chlorophenyl)-4-methylidenehexan-2-ol
SMILESC=C(CC)CC(O)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClO/c1-3-10(2)8-13(15)9-11-4-6-12(14)7-5-11/h4-7,13,15H,2-3,8-9H2,1H3
InChIKeyVXNAVFAWAGHMMQ-UHFFFAOYSA-N
XLogP3.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-methylidenehexan-2-ol?
The IUPAC name of 1-(4-chlorophenyl)-4-methylidenehexan-2-ol (CID 66044338) is 1-(4-chlorophenyl)-4-methylidenehexan-2-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-4-methylidenehexan-2-ol?
The canonical SMILES for 1-(4-chlorophenyl)-4-methylidenehexan-2-ol is C=C(CC)CC(O)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-methylidenehexan-2-ol?
The InChIKey is VXNAVFAWAGHMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO/c1-3-10(2)8-13(15)9-11-4-6-12(14)7-5-11/h4-7,13,15H,2-3,8-9H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-methylidenehexan-2-ol?
1-(4-chlorophenyl)-4-methylidenehexan-2-ol has a molecular weight of 224.73 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-methylidenehexan-2-ol is sourced from PubChem (CID 66044338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).