4-(4-fluorophenyl)-3,3-dimethyloct-7-en-4-ol

C16H23FO — CID 89377990

IUPAC4-(4-fluorophenyl)-3,3-dimethyloct-7-en-4-ol
SMILESC=CCCC(O)(c1ccc(F)cc1)C(C)(C)CC
InChIInChI=1S/C16H23FO/c1-5-7-12-16(18,15(3,4)6-2)13-8-10-14(17)11-9-13/h5,8-11,18H,1,6-7,12H2,2-4H3
InChIKeyHDOHOKVKGWNUBI-UHFFFAOYSA-N
MW250.36 g/mol
LogP4.42
Rot. Bonds6

About 4-(4-fluorophenyl)-3,3-dimethyloct-7-en-4-ol

4-(4-fluorophenyl)-3,3-dimethyloct-7-en-4-ol (PubChem CID 89377990) has the molecular formula C16H23FO and a molecular weight of 250.36 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3,3-dimethyloct-7-en-4-ol.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3,3-dimethyloct-7-en-4-ol
PubChem CID89377990
Molecular FormulaC16H23FO
Molecular Weight250.36 g/mol
Exact Mass250.17
IUPAC Name4-(4-fluorophenyl)-3,3-dimethyloct-7-en-4-ol
SMILESC=CCCC(O)(c1ccc(F)cc1)C(C)(C)CC
InChIInChI=1S/C16H23FO/c1-5-7-12-16(18,15(3,4)6-2)13-8-10-14(17)11-9-13/h5,8-11,18H,1,6-7,12H2,2-4H3
InChIKeyHDOHOKVKGWNUBI-UHFFFAOYSA-N
XLogP4.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3,3-dimethyloct-7-en-4-ol?
The IUPAC name of 4-(4-fluorophenyl)-3,3-dimethyloct-7-en-4-ol (CID 89377990) is 4-(4-fluorophenyl)-3,3-dimethyloct-7-en-4-ol.
What is the SMILES notation for 4-(4-fluorophenyl)-3,3-dimethyloct-7-en-4-ol?
The canonical SMILES for 4-(4-fluorophenyl)-3,3-dimethyloct-7-en-4-ol is C=CCCC(O)(c1ccc(F)cc1)C(C)(C)CC.
What is the InChIKey of 4-(4-fluorophenyl)-3,3-dimethyloct-7-en-4-ol?
The InChIKey is HDOHOKVKGWNUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO/c1-5-7-12-16(18,15(3,4)6-2)13-8-10-14(17)11-9-13/h5,8-11,18H,1,6-7,12H2,2-4H3.
What are the key properties of 4-(4-fluorophenyl)-3,3-dimethyloct-7-en-4-ol?
4-(4-fluorophenyl)-3,3-dimethyloct-7-en-4-ol has a molecular weight of 250.36 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3,3-dimethyloct-7-en-4-ol is sourced from PubChem (CID 89377990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).