1-[8-(5-chloro-2-fluorophenyl)-5,6-dihydronaphthalen-2-yl]ethenol

C18H14ClFO — CID 89076927

IUPAC1-[8-(5-chloro-2-fluorophenyl)-5,6-dihydronaphthalen-2-yl]ethenol
SMILESC=C(O)c1ccc2c(c1)C(c1cc(Cl)ccc1F)=CCC2
InChIInChI=1S/C18H14ClFO/c1-11(21)13-6-5-12-3-2-4-15(16(12)9-13)17-10-14(19)7-8-18(17)20/h4-10,21H,1-3H2
InChIKeyFLKDEPDIXCBDLL-UHFFFAOYSA-N
MW300.76 g/mol
LogP5.39
Rot. Bonds2

About 1-[8-(5-chloro-2-fluorophenyl)-5,6-dihydronaphthalen-2-yl]ethenol

1-[8-(5-chloro-2-fluorophenyl)-5,6-dihydronaphthalen-2-yl]ethenol (PubChem CID 89076927) has the molecular formula C18H14ClFO and a molecular weight of 300.76 g/mol. Its IUPAC name is 1-[8-(5-chloro-2-fluorophenyl)-5,6-dihydronaphthalen-2-yl]ethenol.

Molecular Properties

Compound Name1-[8-(5-chloro-2-fluorophenyl)-5,6-dihydronaphthalen-2-yl]ethenol
PubChem CID89076927
Molecular FormulaC18H14ClFO
Molecular Weight300.76 g/mol
Exact Mass300.07
IUPAC Name1-[8-(5-chloro-2-fluorophenyl)-5,6-dihydronaphthalen-2-yl]ethenol
SMILESC=C(O)c1ccc2c(c1)C(c1cc(Cl)ccc1F)=CCC2
InChIInChI=1S/C18H14ClFO/c1-11(21)13-6-5-12-3-2-4-15(16(12)9-13)17-10-14(19)7-8-18(17)20/h4-10,21H,1-3H2
InChIKeyFLKDEPDIXCBDLL-UHFFFAOYSA-N
XLogP5.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.76
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(5-chloro-2-fluorophenyl)-5,6-dihydronaphthalen-2-yl]ethenol?
The IUPAC name of 1-[8-(5-chloro-2-fluorophenyl)-5,6-dihydronaphthalen-2-yl]ethenol (CID 89076927) is 1-[8-(5-chloro-2-fluorophenyl)-5,6-dihydronaphthalen-2-yl]ethenol.
What is the SMILES notation for 1-[8-(5-chloro-2-fluorophenyl)-5,6-dihydronaphthalen-2-yl]ethenol?
The canonical SMILES for 1-[8-(5-chloro-2-fluorophenyl)-5,6-dihydronaphthalen-2-yl]ethenol is C=C(O)c1ccc2c(c1)C(c1cc(Cl)ccc1F)=CCC2.
What is the InChIKey of 1-[8-(5-chloro-2-fluorophenyl)-5,6-dihydronaphthalen-2-yl]ethenol?
The InChIKey is FLKDEPDIXCBDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFO/c1-11(21)13-6-5-12-3-2-4-15(16(12)9-13)17-10-14(19)7-8-18(17)20/h4-10,21H,1-3H2.
What are the key properties of 1-[8-(5-chloro-2-fluorophenyl)-5,6-dihydronaphthalen-2-yl]ethenol?
1-[8-(5-chloro-2-fluorophenyl)-5,6-dihydronaphthalen-2-yl]ethenol has a molecular weight of 300.76 g/mol, XLogP of 5.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(5-chloro-2-fluorophenyl)-5,6-dihydronaphthalen-2-yl]ethenol is sourced from PubChem (CID 89076927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).