1-(5-fluoro-2-propoxyphenyl)heptane-3,4-diol

C16H25FO3 — CID 83944242

IUPAC1-(5-fluoro-2-propoxyphenyl)heptane-3,4-diol
SMILESCCCOc1ccc(F)cc1CCC(O)C(O)CCC
InChIInChI=1S/C16H25FO3/c1-3-5-14(18)15(19)8-6-12-11-13(17)7-9-16(12)20-10-4-2/h7,9,11,14-15,18-19H,3-6,8,10H2,1-2H3
InChIKeyWXBPPSZFVKJKCW-UHFFFAOYSA-N
MW284.37 g/mol
LogP3.07
Rot. Bonds9

About 1-(5-fluoro-2-propoxyphenyl)heptane-3,4-diol

1-(5-fluoro-2-propoxyphenyl)heptane-3,4-diol (PubChem CID 83944242) has the molecular formula C16H25FO3 and a molecular weight of 284.37 g/mol. Its IUPAC name is 1-(5-fluoro-2-propoxyphenyl)heptane-3,4-diol.

Molecular Properties

Compound Name1-(5-fluoro-2-propoxyphenyl)heptane-3,4-diol
PubChem CID83944242
Molecular FormulaC16H25FO3
Molecular Weight284.37 g/mol
Exact Mass284.18
IUPAC Name1-(5-fluoro-2-propoxyphenyl)heptane-3,4-diol
SMILESCCCOc1ccc(F)cc1CCC(O)C(O)CCC
InChIInChI=1S/C16H25FO3/c1-3-5-14(18)15(19)8-6-12-11-13(17)7-9-16(12)20-10-4-2/h7,9,11,14-15,18-19H,3-6,8,10H2,1-2H3
InChIKeyWXBPPSZFVKJKCW-UHFFFAOYSA-N
XLogP3.07
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(5-fluoro-2-propoxyphenyl)heptane-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(5-fluoro-2-propoxyphenyl)pentane-2,3-diol
CID 83944238
6-(5-fluoro-2-propoxyphenyl)hexan-3-amine
CID 83944180
1-(5-chloro-4-methyl-2-propoxyphenyl)heptane-3,4-diol
CID 83937827
5-[2-propoxy-5-(trifluoromethyl)phenyl]pentane-2,3-diol
CID 83921363
1-(5-fluoro-2-propoxyphenyl)propan-2-amine
CID 103694484
4-[2-(5-fluoro-2-propoxyphenyl)ethyl]-2H-triazole
CID 112719741
propan-2-yl 2-(5-fluoro-2-propoxyphenyl)acetate
CID 82551406
1-(5-fluoro-2-methoxyphenyl)pentan-3-ol
CID 82782849
4-fluoro-2-(2-methylpent-3-ynyl)-1-propoxybenzene
CID 83944195
4-fluoro-1-methoxy-2-propoxybenzene
CID 126738516
1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890525
1-[3-(5-fluoro-2-propoxyphenyl)propyl]piperazine
CID 83944159

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-propoxyphenyl)heptane-3,4-diol?
The IUPAC name of 1-(5-fluoro-2-propoxyphenyl)heptane-3,4-diol (CID 83944242) is 1-(5-fluoro-2-propoxyphenyl)heptane-3,4-diol.
What is the SMILES notation for 1-(5-fluoro-2-propoxyphenyl)heptane-3,4-diol?
The canonical SMILES for 1-(5-fluoro-2-propoxyphenyl)heptane-3,4-diol is CCCOc1ccc(F)cc1CCC(O)C(O)CCC.
What is the InChIKey of 1-(5-fluoro-2-propoxyphenyl)heptane-3,4-diol?
The InChIKey is WXBPPSZFVKJKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FO3/c1-3-5-14(18)15(19)8-6-12-11-13(17)7-9-16(12)20-10-4-2/h7,9,11,14-15,18-19H,3-6,8,10H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-propoxyphenyl)heptane-3,4-diol?
1-(5-fluoro-2-propoxyphenyl)heptane-3,4-diol has a molecular weight of 284.37 g/mol, XLogP of 3.07, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-propoxyphenyl)heptane-3,4-diol is sourced from PubChem (CID 83944242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).