1-(2-fluoro-4-methoxyphenyl)oct-7-en-1-ol

C15H21FO2 — CID 107008668

IUPAC1-(2-fluoro-4-methoxyphenyl)oct-7-en-1-ol
SMILESC=CCCCCCC(O)c1ccc(OC)cc1F
InChIInChI=1S/C15H21FO2/c1-3-4-5-6-7-8-15(17)13-10-9-12(18-2)11-14(13)16/h3,9-11,15,17H,1,4-8H2,2H3
InChIKeyCUTYQEQWNIXABX-UHFFFAOYSA-N
MW252.33 g/mol
LogP4.00
Rot. Bonds8

About 1-(2-fluoro-4-methoxyphenyl)oct-7-en-1-ol

1-(2-fluoro-4-methoxyphenyl)oct-7-en-1-ol (PubChem CID 107008668) has the molecular formula C15H21FO2 and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)oct-7-en-1-ol.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)oct-7-en-1-ol
PubChem CID107008668
Molecular FormulaC15H21FO2
Molecular Weight252.33 g/mol
Exact Mass252.15
IUPAC Name1-(2-fluoro-4-methoxyphenyl)oct-7-en-1-ol
SMILESC=CCCCCCC(O)c1ccc(OC)cc1F
InChIInChI=1S/C15H21FO2/c1-3-4-5-6-7-8-15(17)13-10-9-12(18-2)11-14(13)16/h3,9-11,15,17H,1,4-8H2,2H3
InChIKeyCUTYQEQWNIXABX-UHFFFAOYSA-N
XLogP4.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-fluoro-4-methoxyphenyl)-4-hydroxybutanoic acid
CID 43561615
1-(2,4-dimethoxyphenyl)oct-7-enylhydrazine
CID 107012801
1-[(1S)-1-(2-fluoro-4-methoxyphenyl)hept-6-enyl]piperazine;hydrochloride
CID 171163200
bis(2-fluoro-4-methoxyphenyl)methanol
CID 102884350
1-(3-methoxyphenyl)non-8-en-2-ol
CID 107008507
1-(2-fluoro-4-methoxyphenyl)-3-pyridin-4-ylpropan-1-ol
CID 103397475
(1S)-1-(2-fluoro-4-methoxyphenyl)but-3-en-1-amine
CID 55269234
2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 105405786
1-(2-fluoro-4-methoxyphenyl)-2-propan-2-yloxyethanol
CID 81304350
1-(2-fluoro-4-methoxyphenyl)but-3-enylhydrazine
CID 105256934
(1R)-1-(2-fluoro-4-methoxyphenyl)but-3-en-1-amine;hydrochloride
CID 171200072
(4S)-4-amino-4-(2-fluoro-4-methoxyphenyl)butan-1-ol
CID 171219632

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)oct-7-en-1-ol?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)oct-7-en-1-ol (CID 107008668) is 1-(2-fluoro-4-methoxyphenyl)oct-7-en-1-ol.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)oct-7-en-1-ol?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)oct-7-en-1-ol is C=CCCCCCC(O)c1ccc(OC)cc1F.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)oct-7-en-1-ol?
The InChIKey is CUTYQEQWNIXABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO2/c1-3-4-5-6-7-8-15(17)13-10-9-12(18-2)11-14(13)16/h3,9-11,15,17H,1,4-8H2,2H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)oct-7-en-1-ol?
1-(2-fluoro-4-methoxyphenyl)oct-7-en-1-ol has a molecular weight of 252.33 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyphenyl)oct-7-en-1-ol is sourced from PubChem (CID 107008668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).