2-fluoro-3-(2-methylphenyl)hept-1-en-3-ol

C14H19FO — CID 135002141

IUPAC2-fluoro-3-(2-methylphenyl)hept-1-en-3-ol
SMILESC=C(F)C(O)(CCCC)c1ccccc1C
InChIInChI=1S/C14H19FO/c1-4-5-10-14(16,12(3)15)13-9-7-6-8-11(13)2/h6-9,16H,3-5,10H2,1-2H3
InChIKeyVTJMYHUIAWMTOB-UHFFFAOYSA-N
MW222.30 g/mol
LogP3.86
Rot. Bonds5

About 2-fluoro-3-(2-methylphenyl)hept-1-en-3-ol

2-fluoro-3-(2-methylphenyl)hept-1-en-3-ol (PubChem CID 135002141) has the molecular formula C14H19FO and a molecular weight of 222.30 g/mol. Its IUPAC name is 2-fluoro-3-(2-methylphenyl)hept-1-en-3-ol.

Molecular Properties

Compound Name2-fluoro-3-(2-methylphenyl)hept-1-en-3-ol
PubChem CID135002141
Molecular FormulaC14H19FO
Molecular Weight222.30 g/mol
Exact Mass222.14
IUPAC Name2-fluoro-3-(2-methylphenyl)hept-1-en-3-ol
SMILESC=C(F)C(O)(CCCC)c1ccccc1C
InChIInChI=1S/C14H19FO/c1-4-5-10-14(16,12(3)15)13-9-7-6-8-11(13)2/h6-9,16H,3-5,10H2,1-2H3
InChIKeyVTJMYHUIAWMTOB-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-butyldecan-5-yl)-2-methylbenzene
CID 173021095
1-methyl-2-[2-[2-(2-methylphenyl)hexan-2-yloxy]hexan-2-yl]benzene
CID 175217008
2-(aminomethyl)-2-(2-methylphenyl)hexanoic acid
CID 106509081
1-methyl-2-(2-methylnonan-2-yl)benzene
CID 173398829
1-methyl-2-(4-propylnonan-4-yl)benzene
CID 173020959
tetrakis(hexane);tris(1,2-xylene)
CID 173431292
2-(2-butylphenyl)hexane-1,2-diol
CID 162716167
1-(2-chlorododecan-2-yl)-2-methylbenzene
CID 140998406
carbonic acid;2-(2-methylhexan-2-yl)phenol
CID 88685515
1-hex-1-en-2-yl-2-methylbenzene
CID 10535245
1-(2,4-dimethylphenyl)-1-phenylpentan-1-ol
CID 14907355
4-[1-(4-hydroxy-3-phenylphenyl)-1-(2-methylphenyl)pentyl]-2-phenylphenol
CID 21277063

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(2-methylphenyl)hept-1-en-3-ol?
The IUPAC name of 2-fluoro-3-(2-methylphenyl)hept-1-en-3-ol (CID 135002141) is 2-fluoro-3-(2-methylphenyl)hept-1-en-3-ol.
What is the SMILES notation for 2-fluoro-3-(2-methylphenyl)hept-1-en-3-ol?
The canonical SMILES for 2-fluoro-3-(2-methylphenyl)hept-1-en-3-ol is C=C(F)C(O)(CCCC)c1ccccc1C.
What is the InChIKey of 2-fluoro-3-(2-methylphenyl)hept-1-en-3-ol?
The InChIKey is VTJMYHUIAWMTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO/c1-4-5-10-14(16,12(3)15)13-9-7-6-8-11(13)2/h6-9,16H,3-5,10H2,1-2H3.
What are the key properties of 2-fluoro-3-(2-methylphenyl)hept-1-en-3-ol?
2-fluoro-3-(2-methylphenyl)hept-1-en-3-ol has a molecular weight of 222.30 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(2-methylphenyl)hept-1-en-3-ol is sourced from PubChem (CID 135002141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).