(1E,3R)-5-fluoro-2-methyl-1-phenylhexa-1,5-dien-3-ol

C13H15FO — CID 102579772

IUPAC(1E,3R)-5-fluoro-2-methyl-1-phenylhexa-1,5-dien-3-ol
SMILESC=C(F)C[C@@H](O)/C(C)=C/c1ccccc1
InChIInChI=1S/C13H15FO/c1-10(13(15)9-11(2)14)8-12-6-4-3-5-7-12/h3-8,13,15H,2,9H2,1H3/b10-8+/t13-/m1/s1
InChIKeyCLJMSCKOQVDLTA-AORWBKJGSA-N
MW206.26 g/mol
LogP3.32
Rot. Bonds4

About (1E,3R)-5-fluoro-2-methyl-1-phenylhexa-1,5-dien-3-ol

(1E,3R)-5-fluoro-2-methyl-1-phenylhexa-1,5-dien-3-ol (PubChem CID 102579772) has the molecular formula C13H15FO and a molecular weight of 206.26 g/mol. Its IUPAC name is (1E,3R)-5-fluoro-2-methyl-1-phenylhexa-1,5-dien-3-ol.

Molecular Properties

Compound Name(1E,3R)-5-fluoro-2-methyl-1-phenylhexa-1,5-dien-3-ol
PubChem CID102579772
Molecular FormulaC13H15FO
Molecular Weight206.26 g/mol
Exact Mass206.11
IUPAC Name(1E,3R)-5-fluoro-2-methyl-1-phenylhexa-1,5-dien-3-ol
SMILESC=C(F)C[C@@H](O)/C(C)=C/c1ccccc1
InChIInChI=1S/C13H15FO/c1-10(13(15)9-11(2)14)8-12-6-4-3-5-7-12/h3-8,13,15H,2,9H2,1H3/b10-8+/t13-/m1/s1
InChIKeyCLJMSCKOQVDLTA-AORWBKJGSA-N
XLogP3.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(E)-3,4-dimethyl-5-phenylpent-4-en-2-ol
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phenyl N-[(E,2S)-2-hydroxy-3-methyl-4-phenylbut-3-enyl]carbamate
CID 134952898
[(E)-2-prop-2-enoxyprop-1-enyl]benzene
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CID 54107703
[(1Z)-2-methylpenta-1,4-dienyl]benzene
CID 14247244
(1E,5E)-2-methyl-1-phenyl-6-triethylsilyloxyhexa-1,5-dien-3-ol
CID 101241997
[(E)-2,3,5-trimethylhept-1-enyl]benzene
CID 102271069
3-fluoro-1-phenylprop-1-en-2-ol
CID 172850528
2,2-difluoroethenylbenzene;1,1-difluoroprop-1-ene
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CID 5463840

Frequently Asked Questions

What is the IUPAC name of (1E,3R)-5-fluoro-2-methyl-1-phenylhexa-1,5-dien-3-ol?
The IUPAC name of (1E,3R)-5-fluoro-2-methyl-1-phenylhexa-1,5-dien-3-ol (CID 102579772) is (1E,3R)-5-fluoro-2-methyl-1-phenylhexa-1,5-dien-3-ol.
What is the SMILES notation for (1E,3R)-5-fluoro-2-methyl-1-phenylhexa-1,5-dien-3-ol?
The canonical SMILES for (1E,3R)-5-fluoro-2-methyl-1-phenylhexa-1,5-dien-3-ol is C=C(F)C[C@@H](O)/C(C)=C/c1ccccc1.
What is the InChIKey of (1E,3R)-5-fluoro-2-methyl-1-phenylhexa-1,5-dien-3-ol?
The InChIKey is CLJMSCKOQVDLTA-AORWBKJGSA-N. The full InChI is InChI=1S/C13H15FO/c1-10(13(15)9-11(2)14)8-12-6-4-3-5-7-12/h3-8,13,15H,2,9H2,1H3/b10-8+/t13-/m1/s1.
What are the key properties of (1E,3R)-5-fluoro-2-methyl-1-phenylhexa-1,5-dien-3-ol?
(1E,3R)-5-fluoro-2-methyl-1-phenylhexa-1,5-dien-3-ol has a molecular weight of 206.26 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3R)-5-fluoro-2-methyl-1-phenylhexa-1,5-dien-3-ol is sourced from PubChem (CID 102579772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).