(Z)-3-(3-fluorophenyl)-4-methylpent-2-en-1-ol

C12H15FO — CID 115019860

IUPAC(Z)-3-(3-fluorophenyl)-4-methylpent-2-en-1-ol
SMILESCC(C)/C(=C/CO)c1cccc(F)c1
InChIInChI=1S/C12H15FO/c1-9(2)12(6-7-14)10-4-3-5-11(13)8-10/h3-6,8-9,14H,7H2,1-2H3/b12-6-
InChIKeyCOKNMJLAQCXWBA-SDQBBNPISA-N
MW194.25 g/mol
LogP2.86
Rot. Bonds3

About (Z)-3-(3-fluorophenyl)-4-methylpent-2-en-1-ol

(Z)-3-(3-fluorophenyl)-4-methylpent-2-en-1-ol (PubChem CID 115019860) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is (Z)-3-(3-fluorophenyl)-4-methylpent-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-(3-fluorophenyl)-4-methylpent-2-en-1-ol
PubChem CID115019860
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Name(Z)-3-(3-fluorophenyl)-4-methylpent-2-en-1-ol
SMILESCC(C)/C(=C/CO)c1cccc(F)c1
InChIInChI=1S/C12H15FO/c1-9(2)12(6-7-14)10-4-3-5-11(13)8-10/h3-6,8-9,14H,7H2,1-2H3/b12-6-
InChIKeyCOKNMJLAQCXWBA-SDQBBNPISA-N
XLogP2.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-fluoro-3-[1-(4-propan-2-ylphenyl)pent-3-en-1-yn-3-yl]benzene
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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-fluorophenyl)-4-methylpent-2-en-1-ol?
The IUPAC name of (Z)-3-(3-fluorophenyl)-4-methylpent-2-en-1-ol (CID 115019860) is (Z)-3-(3-fluorophenyl)-4-methylpent-2-en-1-ol.
What is the SMILES notation for (Z)-3-(3-fluorophenyl)-4-methylpent-2-en-1-ol?
The canonical SMILES for (Z)-3-(3-fluorophenyl)-4-methylpent-2-en-1-ol is CC(C)/C(=C/CO)c1cccc(F)c1.
What is the InChIKey of (Z)-3-(3-fluorophenyl)-4-methylpent-2-en-1-ol?
The InChIKey is COKNMJLAQCXWBA-SDQBBNPISA-N. The full InChI is InChI=1S/C12H15FO/c1-9(2)12(6-7-14)10-4-3-5-11(13)8-10/h3-6,8-9,14H,7H2,1-2H3/b12-6-.
What are the key properties of (Z)-3-(3-fluorophenyl)-4-methylpent-2-en-1-ol?
(Z)-3-(3-fluorophenyl)-4-methylpent-2-en-1-ol has a molecular weight of 194.25 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-fluorophenyl)-4-methylpent-2-en-1-ol is sourced from PubChem (CID 115019860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).