3-butan-2-yl-3-(4-fluorophenyl)hex-5-en-1-ol

C16H23FO — CID 143838263

IUPAC3-butan-2-yl-3-(4-fluorophenyl)hex-5-en-1-ol
SMILESC=CCC(CCO)(c1ccc(F)cc1)C(C)CC
InChIInChI=1S/C16H23FO/c1-4-10-16(11-12-18,13(3)5-2)14-6-8-15(17)9-7-14/h4,6-9,13,18H,1,5,10-12H2,2-3H3
InChIKeyVZQLHGWYEDDBML-UHFFFAOYSA-N
MW250.36 g/mol
LogP4.07
Rot. Bonds7

About 3-butan-2-yl-3-(4-fluorophenyl)hex-5-en-1-ol

3-butan-2-yl-3-(4-fluorophenyl)hex-5-en-1-ol (PubChem CID 143838263) has the molecular formula C16H23FO and a molecular weight of 250.36 g/mol. Its IUPAC name is 3-butan-2-yl-3-(4-fluorophenyl)hex-5-en-1-ol.

Molecular Properties

Compound Name3-butan-2-yl-3-(4-fluorophenyl)hex-5-en-1-ol
PubChem CID143838263
Molecular FormulaC16H23FO
Molecular Weight250.36 g/mol
Exact Mass250.17
IUPAC Name3-butan-2-yl-3-(4-fluorophenyl)hex-5-en-1-ol
SMILESC=CCC(CCO)(c1ccc(F)cc1)C(C)CC
InChIInChI=1S/C16H23FO/c1-4-10-16(11-12-18,13(3)5-2)14-6-8-15(17)9-7-14/h4,6-9,13,18H,1,5,10-12H2,2-3H3
InChIKeyVZQLHGWYEDDBML-UHFFFAOYSA-N
XLogP4.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 54.07
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

diethyl 2-(4-fluorophenyl)-2-prop-2-enylpropanedioate
CID 103973170
2-(4-fluorophenyl)pent-4-en-2-amine
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CID 66857885
4-(4-fluorophenyl)-3,3-dimethyloct-7-en-4-ol
CID 89377990
3-(4-fluorophenyl)-3-(methylamino)butan-1-ol
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1-(4-bromophenyl)ethyl-[4-(4-fluorophenyl)-4-hydroxyhept-6-en-2-yl]carbamic acid
CID 68723462
1-[(E)-4-ethenylhex-4-en-3-yl]-4-fluorobenzene
CID 166983011
3-(4-fluorophenyl)-3-(propylamino)pentan-1-ol
CID 65235270
4-fluoro-N-pent-4-en-2-ylbenzamide
CID 115631330
methyl N-[(2S)-3,3-dimethylbutan-2-yl]-N-[3-(4-fluorophenyl)-3-hydroxyhex-5-enyl]carbamate
CID 58485267
3-phenyl-3-prop-2-enylpentane-1,5-diol
CID 173032148
1-(2,2-dimethylpent-4-enyl)-4-fluorobenzene
CID 54122402

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-3-(4-fluorophenyl)hex-5-en-1-ol?
The IUPAC name of 3-butan-2-yl-3-(4-fluorophenyl)hex-5-en-1-ol (CID 143838263) is 3-butan-2-yl-3-(4-fluorophenyl)hex-5-en-1-ol.
What is the SMILES notation for 3-butan-2-yl-3-(4-fluorophenyl)hex-5-en-1-ol?
The canonical SMILES for 3-butan-2-yl-3-(4-fluorophenyl)hex-5-en-1-ol is C=CCC(CCO)(c1ccc(F)cc1)C(C)CC.
What is the InChIKey of 3-butan-2-yl-3-(4-fluorophenyl)hex-5-en-1-ol?
The InChIKey is VZQLHGWYEDDBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO/c1-4-10-16(11-12-18,13(3)5-2)14-6-8-15(17)9-7-14/h4,6-9,13,18H,1,5,10-12H2,2-3H3.
What are the key properties of 3-butan-2-yl-3-(4-fluorophenyl)hex-5-en-1-ol?
3-butan-2-yl-3-(4-fluorophenyl)hex-5-en-1-ol has a molecular weight of 250.36 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-3-(4-fluorophenyl)hex-5-en-1-ol is sourced from PubChem (CID 143838263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).