(E)-6,6-difluoro-5-methyl-1,6-diphenylhex-4-en-3-ol

C19H20F2O — CID 12038419

IUPAC(E)-6,6-difluoro-5-methyl-1,6-diphenylhex-4-en-3-ol
SMILESC/C(=C\C(O)CCc1ccccc1)C(F)(F)c1ccccc1
InChIInChI=1S/C19H20F2O/c1-15(19(20,21)17-10-6-3-7-11-17)14-18(22)13-12-16-8-4-2-5-9-16/h2-11,14,18,22H,12-13H2,1H3/b15-14+
InChIKeyTXUXNZAWGDGAFH-CCEZHUSRSA-N
MW302.36 g/mol
LogP4.72
Rot. Bonds6

About (E)-6,6-difluoro-5-methyl-1,6-diphenylhex-4-en-3-ol

(E)-6,6-difluoro-5-methyl-1,6-diphenylhex-4-en-3-ol (PubChem CID 12038419) has the molecular formula C19H20F2O and a molecular weight of 302.36 g/mol. Its IUPAC name is (E)-6,6-difluoro-5-methyl-1,6-diphenylhex-4-en-3-ol.

Molecular Properties

Compound Name(E)-6,6-difluoro-5-methyl-1,6-diphenylhex-4-en-3-ol
PubChem CID12038419
Molecular FormulaC19H20F2O
Molecular Weight302.36 g/mol
Exact Mass302.15
IUPAC Name(E)-6,6-difluoro-5-methyl-1,6-diphenylhex-4-en-3-ol
SMILESC/C(=C\C(O)CCc1ccccc1)C(F)(F)c1ccccc1
InChIInChI=1S/C19H20F2O/c1-15(19(20,21)17-10-6-3-7-11-17)14-18(22)13-12-16-8-4-2-5-9-16/h2-11,14,18,22H,12-13H2,1H3/b15-14+
InChIKeyTXUXNZAWGDGAFH-CCEZHUSRSA-N
XLogP4.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Benzhydrol
CID 7037
4-Phenyl-2-butanol
CID 61302
2-Pentylcinnamic alcohol
CID 5368491
2-Pentyl-3-phenylprop-2-en-1-ol
CID 6076971
1-Heptanol, 2-(phenylmethylene)-
CID 7584
1,2-Diphenylethanol
CID 94178
alpha-Cyclohexylbenzenemethanol
CID 95668
(S)-alpha-(Trifluoromethyl)benzyl alcohol
CID 95556
2-Fluoro-1-phenylethan-1-ol
CID 9946
1-(4-Fluorophenyl)ethanol
CID 73946
1,3-Diphenyl-2-propanol
CID 138478
4-(Trifluoromethyl)benzhydrol
CID 258897

Frequently Asked Questions

What is the IUPAC name of (E)-6,6-difluoro-5-methyl-1,6-diphenylhex-4-en-3-ol?
The IUPAC name of (E)-6,6-difluoro-5-methyl-1,6-diphenylhex-4-en-3-ol (CID 12038419) is (E)-6,6-difluoro-5-methyl-1,6-diphenylhex-4-en-3-ol.
What is the SMILES notation for (E)-6,6-difluoro-5-methyl-1,6-diphenylhex-4-en-3-ol?
The canonical SMILES for (E)-6,6-difluoro-5-methyl-1,6-diphenylhex-4-en-3-ol is C/C(=C\C(O)CCc1ccccc1)C(F)(F)c1ccccc1.
What is the InChIKey of (E)-6,6-difluoro-5-methyl-1,6-diphenylhex-4-en-3-ol?
The InChIKey is TXUXNZAWGDGAFH-CCEZHUSRSA-N. The full InChI is InChI=1S/C19H20F2O/c1-15(19(20,21)17-10-6-3-7-11-17)14-18(22)13-12-16-8-4-2-5-9-16/h2-11,14,18,22H,12-13H2,1H3/b15-14+.
What are the key properties of (E)-6,6-difluoro-5-methyl-1,6-diphenylhex-4-en-3-ol?
(E)-6,6-difluoro-5-methyl-1,6-diphenylhex-4-en-3-ol has a molecular weight of 302.36 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6,6-difluoro-5-methyl-1,6-diphenylhex-4-en-3-ol is sourced from PubChem (CID 12038419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).