3-[5-(4-chlorophenyl)-2,4-dimethylphenyl]prop-1-en-2-ol

C17H17ClO — CID 59774003

IUPAC3-[5-(4-chlorophenyl)-2,4-dimethylphenyl]prop-1-en-2-ol
SMILESC=C(O)Cc1cc(-c2ccc(Cl)cc2)c(C)cc1C
InChIInChI=1S/C17H17ClO/c1-11-8-12(2)17(10-15(11)9-13(3)19)14-4-6-16(18)7-5-14/h4-8,10,19H,3,9H2,1-2H3
InChIKeyRTGDKTALCSOAFL-UHFFFAOYSA-N
MW272.78 g/mol
LogP5.24
Rot. Bonds3

About 3-[5-(4-chlorophenyl)-2,4-dimethylphenyl]prop-1-en-2-ol

3-[5-(4-chlorophenyl)-2,4-dimethylphenyl]prop-1-en-2-ol (PubChem CID 59774003) has the molecular formula C17H17ClO and a molecular weight of 272.78 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-2,4-dimethylphenyl]prop-1-en-2-ol.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-2,4-dimethylphenyl]prop-1-en-2-ol
PubChem CID59774003
Molecular FormulaC17H17ClO
Molecular Weight272.78 g/mol
Exact Mass272.10
IUPAC Name3-[5-(4-chlorophenyl)-2,4-dimethylphenyl]prop-1-en-2-ol
SMILESC=C(O)Cc1cc(-c2ccc(Cl)cc2)c(C)cc1C
InChIInChI=1S/C17H17ClO/c1-11-8-12(2)17(10-15(11)9-13(3)19)14-4-6-16(18)7-5-14/h4-8,10,19H,3,9H2,1-2H3
InChIKeyRTGDKTALCSOAFL-UHFFFAOYSA-N
XLogP5.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.78
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-2,4-dimethylphenyl]prop-1-en-2-ol?
The IUPAC name of 3-[5-(4-chlorophenyl)-2,4-dimethylphenyl]prop-1-en-2-ol (CID 59774003) is 3-[5-(4-chlorophenyl)-2,4-dimethylphenyl]prop-1-en-2-ol.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-2,4-dimethylphenyl]prop-1-en-2-ol?
The canonical SMILES for 3-[5-(4-chlorophenyl)-2,4-dimethylphenyl]prop-1-en-2-ol is C=C(O)Cc1cc(-c2ccc(Cl)cc2)c(C)cc1C.
What is the InChIKey of 3-[5-(4-chlorophenyl)-2,4-dimethylphenyl]prop-1-en-2-ol?
The InChIKey is RTGDKTALCSOAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO/c1-11-8-12(2)17(10-15(11)9-13(3)19)14-4-6-16(18)7-5-14/h4-8,10,19H,3,9H2,1-2H3.
What are the key properties of 3-[5-(4-chlorophenyl)-2,4-dimethylphenyl]prop-1-en-2-ol?
3-[5-(4-chlorophenyl)-2,4-dimethylphenyl]prop-1-en-2-ol has a molecular weight of 272.78 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-2,4-dimethylphenyl]prop-1-en-2-ol is sourced from PubChem (CID 59774003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).