6,6-difluoro-5-(4-methoxyphenyl)-2-phenylhex-5-en-3-ol

C19H20F2O2 — CID 162419488

IUPAC6,6-difluoro-5-(4-methoxyphenyl)-2-phenylhex-5-en-3-ol
SMILESCOc1ccc(C(CC(O)C(C)c2ccccc2)=C(F)F)cc1
InChIInChI=1S/C19H20F2O2/c1-13(14-6-4-3-5-7-14)18(22)12-17(19(20)21)15-8-10-16(23-2)11-9-15/h3-11,13,18,22H,12H2,1-2H3
InChIKeyQWLUBURXTKQNJC-UHFFFAOYSA-N
MW318.36 g/mol
LogP4.86
Rot. Bonds6

About 6,6-difluoro-5-(4-methoxyphenyl)-2-phenylhex-5-en-3-ol

6,6-difluoro-5-(4-methoxyphenyl)-2-phenylhex-5-en-3-ol (PubChem CID 162419488) has the molecular formula C19H20F2O2 and a molecular weight of 318.36 g/mol. Its IUPAC name is 6,6-difluoro-5-(4-methoxyphenyl)-2-phenylhex-5-en-3-ol.

Molecular Properties

Compound Name6,6-difluoro-5-(4-methoxyphenyl)-2-phenylhex-5-en-3-ol
PubChem CID162419488
Molecular FormulaC19H20F2O2
Molecular Weight318.36 g/mol
Exact Mass318.14
IUPAC Name6,6-difluoro-5-(4-methoxyphenyl)-2-phenylhex-5-en-3-ol
SMILESCOc1ccc(C(CC(O)C(C)c2ccccc2)=C(F)F)cc1
InChIInChI=1S/C19H20F2O2/c1-13(14-6-4-3-5-7-14)18(22)12-17(19(20)21)15-8-10-16(23-2)11-9-15/h3-11,13,18,22H,12H2,1-2H3
InChIKeyQWLUBURXTKQNJC-UHFFFAOYSA-N
XLogP4.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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5,5-difluoro-4-(4-methoxyphenyl)pent-4-en-1-ol
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CID 13481815
(1R,2S)-1-(4-methoxyphenoxy)-1-phenylpropan-2-ol
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CID 143208941
1-methoxy-4-(3-methylpentan-2-yl)benzene
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[4-(4-methoxyphenyl)phenyl]-phenylmethanol
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CID 82104513

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-5-(4-methoxyphenyl)-2-phenylhex-5-en-3-ol?
The IUPAC name of 6,6-difluoro-5-(4-methoxyphenyl)-2-phenylhex-5-en-3-ol (CID 162419488) is 6,6-difluoro-5-(4-methoxyphenyl)-2-phenylhex-5-en-3-ol.
What is the SMILES notation for 6,6-difluoro-5-(4-methoxyphenyl)-2-phenylhex-5-en-3-ol?
The canonical SMILES for 6,6-difluoro-5-(4-methoxyphenyl)-2-phenylhex-5-en-3-ol is COc1ccc(C(CC(O)C(C)c2ccccc2)=C(F)F)cc1.
What is the InChIKey of 6,6-difluoro-5-(4-methoxyphenyl)-2-phenylhex-5-en-3-ol?
The InChIKey is QWLUBURXTKQNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2O2/c1-13(14-6-4-3-5-7-14)18(22)12-17(19(20)21)15-8-10-16(23-2)11-9-15/h3-11,13,18,22H,12H2,1-2H3.
What are the key properties of 6,6-difluoro-5-(4-methoxyphenyl)-2-phenylhex-5-en-3-ol?
6,6-difluoro-5-(4-methoxyphenyl)-2-phenylhex-5-en-3-ol has a molecular weight of 318.36 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-5-(4-methoxyphenyl)-2-phenylhex-5-en-3-ol is sourced from PubChem (CID 162419488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).