(E)-3-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]prop-1-en-1-ol

C18H19FO — CID 70518405

IUPAC(E)-3-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]prop-1-en-1-ol
SMILESCc1cc(C)c(C/C=C/O)c(-c2ccc(F)c(C)c2)c1
InChIInChI=1S/C18H19FO/c1-12-9-13(2)16(5-4-8-20)17(10-12)15-6-7-18(19)14(3)11-15/h4,6-11,20H,5H2,1-3H3/b8-4+
InChIKeyMTUMNTHTWNZUEK-XBXARRHUSA-N
MW270.35 g/mol
LogP5.03
Rot. Bonds3

About (E)-3-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]prop-1-en-1-ol

(E)-3-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]prop-1-en-1-ol (PubChem CID 70518405) has the molecular formula C18H19FO and a molecular weight of 270.35 g/mol. Its IUPAC name is (E)-3-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]prop-1-en-1-ol.

Molecular Properties

Compound Name(E)-3-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]prop-1-en-1-ol
PubChem CID70518405
Molecular FormulaC18H19FO
Molecular Weight270.35 g/mol
Exact Mass270.14
IUPAC Name(E)-3-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]prop-1-en-1-ol
SMILESCc1cc(C)c(C/C=C/O)c(-c2ccc(F)c(C)c2)c1
InChIInChI=1S/C18H19FO/c1-12-9-13(2)16(5-4-8-20)17(10-12)15-6-7-18(19)14(3)11-15/h4,6-11,20H,5H2,1-3H3/b8-4+
InChIKeyMTUMNTHTWNZUEK-XBXARRHUSA-N
XLogP5.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.35
LogP ≤ 55.03
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 (E)-3-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]prop-1-en-1-ol?
The IUPAC name of (E)-3-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]prop-1-en-1-ol (CID 70518405) is (E)-3-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]prop-1-en-1-ol.
What is the SMILES notation for (E)-3-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]prop-1-en-1-ol?
The canonical SMILES for (E)-3-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]prop-1-en-1-ol is Cc1cc(C)c(C/C=C/O)c(-c2ccc(F)c(C)c2)c1.
What is the InChIKey of (E)-3-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]prop-1-en-1-ol?
The InChIKey is MTUMNTHTWNZUEK-XBXARRHUSA-N. The full InChI is InChI=1S/C18H19FO/c1-12-9-13(2)16(5-4-8-20)17(10-12)15-6-7-18(19)14(3)11-15/h4,6-11,20H,5H2,1-3H3/b8-4+.
What are the key properties of (E)-3-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]prop-1-en-1-ol?
(E)-3-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]prop-1-en-1-ol has a molecular weight of 270.35 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]prop-1-en-1-ol is sourced from PubChem (CID 70518405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).