7-(3-fluoro-2,4-dimethylphenyl)hept-6-ene-1,2,3,4,5,6-hexol

C15H21FO6 — CID 174465317

IUPAC7-(3-fluoro-2,4-dimethylphenyl)hept-6-ene-1,2,3,4,5,6-hexol
SMILESCc1ccc(C=C(O)C(O)C(O)C(O)C(O)CO)c(C)c1F
InChIInChI=1S/C15H21FO6/c1-7-3-4-9(8(2)12(7)16)5-10(18)13(20)15(22)14(21)11(19)6-17/h3-5,11,13-15,17-22H,6H2,1-2H3
InChIKeyBYAUFJVEETZBMA-UHFFFAOYSA-N
MW316.33 g/mol
LogP-0.22
Rot. Bonds6

About 7-(3-fluoro-2,4-dimethylphenyl)hept-6-ene-1,2,3,4,5,6-hexol

7-(3-fluoro-2,4-dimethylphenyl)hept-6-ene-1,2,3,4,5,6-hexol (PubChem CID 174465317) has the molecular formula C15H21FO6 and a molecular weight of 316.33 g/mol. Its IUPAC name is 7-(3-fluoro-2,4-dimethylphenyl)hept-6-ene-1,2,3,4,5,6-hexol.

Molecular Properties

Compound Name7-(3-fluoro-2,4-dimethylphenyl)hept-6-ene-1,2,3,4,5,6-hexol
PubChem CID174465317
Molecular FormulaC15H21FO6
Molecular Weight316.33 g/mol
Exact Mass316.13
IUPAC Name7-(3-fluoro-2,4-dimethylphenyl)hept-6-ene-1,2,3,4,5,6-hexol
SMILESCc1ccc(C=C(O)C(O)C(O)C(O)C(O)CO)c(C)c1F
InChIInChI=1S/C15H21FO6/c1-7-3-4-9(8(2)12(7)16)5-10(18)13(20)15(22)14(21)11(19)6-17/h3-5,11,13-15,17-22H,6H2,1-2H3
InChIKeyBYAUFJVEETZBMA-UHFFFAOYSA-N
XLogP-0.22
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.33
LogP ≤ 5-0.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 7-(3-fluoro-2,4-dimethylphenyl)hept-6-ene-1,2,3,4,5,6-hexol 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

(Z,2S,3R,4R,5R)-7-(2,4-dimethylphenyl)hept-6-ene-1,2,3,4,5,6-hexol
CID 141130875
(Z,2S,3R,4R,5R)-7-(3,4-dimethylphenyl)hept-6-ene-1,2,3,4,5,6-hexol
CID 140610438
7-(3-chloro-4-methylphenyl)hept-6-ene-1,2,3,4,5,6-hexol
CID 77160660
(2R,3R,4S,5R)-7-(2,4-diethylphenyl)hept-6-ene-1,2,3,4,5,6-hexol
CID 130234248
(2R,3R,4S,5R)-7-(2,4-dimethoxyphenyl)hept-6-ene-1,2,3,4,5,6-hexol
CID 130234240
7-(4-ethyl-3-methylphenyl)hept-6-ene-1,2,3,4,5,6-hexol
CID 77160649
(2R,3R,4S,5R)-7-(2-butylphenyl)hept-6-ene-1,2,3,4,5,6-hexol
CID 141330903
7-(3-bromophenyl)hept-6-ene-1,2,3,4,5,6-hexol
CID 175044347
(3S,4S,5S,6R)-1,8-bis(4-fluoro-3-methylphenyl)octa-1,7-diene-2,3,4,5,6,7-hexol
CID 69363774
7-phenyloct-6-ene-1,2,3,4,5,6-hexol
CID 77266173
(3S,4S,5S,6R)-1,8-bis(3,5-dimethylphenyl)octa-1,7-diene-2,3,4,5,6,7-hexol
CID 66656976
1-(2,6-difluoro-3-methylphenyl)propane-1,2,3-triol
CID 170819048

Frequently Asked Questions

What is the IUPAC name of 7-(3-fluoro-2,4-dimethylphenyl)hept-6-ene-1,2,3,4,5,6-hexol?
The IUPAC name of 7-(3-fluoro-2,4-dimethylphenyl)hept-6-ene-1,2,3,4,5,6-hexol (CID 174465317) is 7-(3-fluoro-2,4-dimethylphenyl)hept-6-ene-1,2,3,4,5,6-hexol.
What is the SMILES notation for 7-(3-fluoro-2,4-dimethylphenyl)hept-6-ene-1,2,3,4,5,6-hexol?
The canonical SMILES for 7-(3-fluoro-2,4-dimethylphenyl)hept-6-ene-1,2,3,4,5,6-hexol is Cc1ccc(C=C(O)C(O)C(O)C(O)C(O)CO)c(C)c1F.
What is the InChIKey of 7-(3-fluoro-2,4-dimethylphenyl)hept-6-ene-1,2,3,4,5,6-hexol?
The InChIKey is BYAUFJVEETZBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO6/c1-7-3-4-9(8(2)12(7)16)5-10(18)13(20)15(22)14(21)11(19)6-17/h3-5,11,13-15,17-22H,6H2,1-2H3.
What are the key properties of 7-(3-fluoro-2,4-dimethylphenyl)hept-6-ene-1,2,3,4,5,6-hexol?
7-(3-fluoro-2,4-dimethylphenyl)hept-6-ene-1,2,3,4,5,6-hexol has a molecular weight of 316.33 g/mol, XLogP of -0.22, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluoro-2,4-dimethylphenyl)hept-6-ene-1,2,3,4,5,6-hexol is sourced from PubChem (CID 174465317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).