1-(2-fluoro-4,5-dimethoxyphenyl)heptan-1-ol

C15H23FO3 — CID 114753416

IUPAC1-(2-fluoro-4,5-dimethoxyphenyl)heptan-1-ol
SMILESCCCCCCC(O)c1cc(OC)c(OC)cc1F
InChIInChI=1S/C15H23FO3/c1-4-5-6-7-8-13(17)11-9-14(18-2)15(19-3)10-12(11)16/h9-10,13,17H,4-8H2,1-3H3
InChIKeyDQSBVEPXFLUIHB-UHFFFAOYSA-N
MW270.34 g/mol
LogP3.85
Rot. Bonds8

About 1-(2-fluoro-4,5-dimethoxyphenyl)heptan-1-ol

1-(2-fluoro-4,5-dimethoxyphenyl)heptan-1-ol (PubChem CID 114753416) has the molecular formula C15H23FO3 and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-(2-fluoro-4,5-dimethoxyphenyl)heptan-1-ol.

Molecular Properties

Compound Name1-(2-fluoro-4,5-dimethoxyphenyl)heptan-1-ol
PubChem CID114753416
Molecular FormulaC15H23FO3
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name1-(2-fluoro-4,5-dimethoxyphenyl)heptan-1-ol
SMILESCCCCCCC(O)c1cc(OC)c(OC)cc1F
InChIInChI=1S/C15H23FO3/c1-4-5-6-7-8-13(17)11-9-14(18-2)15(19-3)10-12(11)16/h9-10,13,17H,4-8H2,1-3H3
InChIKeyDQSBVEPXFLUIHB-UHFFFAOYSA-N
XLogP3.85
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-bromohexyl)-2-fluoro-4,5-dimethoxybenzene
CID 63447638
1-(4,5-dimethoxy-2-methylphenyl)hexan-1-ol
CID 61080760
1-(3-fluoro-4-methoxyphenyl)undecan-1-ol
CID 65151223
1-(4-fluoro-3-methoxyphenyl)nonan-1-ol
CID 115783950
1-(4,5-dimethoxy-2-methylphenyl)pentan-1-ol
CID 61080758
1-(2,4,5-trifluorophenyl)pentan-1-ol
CID 19885905
1-(2-methoxy-5-methylphenyl)decan-1-ol
CID 65427724
1-(2-fluoro-5-methylphenyl)undecan-1-ol
CID 115789089
1-(2,5-difluoro-4-methoxyphenyl)-3-sulfanylpropan-1-ol
CID 116831045
1-(4,5-dimethoxy-2-methylphenyl)octane-1,8-diol
CID 166530640
1-(5-bromo-2-methoxy-4-methylphenyl)decan-1-ol
CID 65433754
3-amino-1-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol
CID 84714748

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4,5-dimethoxyphenyl)heptan-1-ol?
The IUPAC name of 1-(2-fluoro-4,5-dimethoxyphenyl)heptan-1-ol (CID 114753416) is 1-(2-fluoro-4,5-dimethoxyphenyl)heptan-1-ol.
What is the SMILES notation for 1-(2-fluoro-4,5-dimethoxyphenyl)heptan-1-ol?
The canonical SMILES for 1-(2-fluoro-4,5-dimethoxyphenyl)heptan-1-ol is CCCCCCC(O)c1cc(OC)c(OC)cc1F.
What is the InChIKey of 1-(2-fluoro-4,5-dimethoxyphenyl)heptan-1-ol?
The InChIKey is DQSBVEPXFLUIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FO3/c1-4-5-6-7-8-13(17)11-9-14(18-2)15(19-3)10-12(11)16/h9-10,13,17H,4-8H2,1-3H3.
What are the key properties of 1-(2-fluoro-4,5-dimethoxyphenyl)heptan-1-ol?
1-(2-fluoro-4,5-dimethoxyphenyl)heptan-1-ol has a molecular weight of 270.34 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4,5-dimethoxyphenyl)heptan-1-ol is sourced from PubChem (CID 114753416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).