2-[4-(4-chloro-3-fluorophenyl)-3-fluorophenyl]-6-propoxynaphthalene

C25H19ClF2O — CID 129226020

IUPAC2-[4-(4-chloro-3-fluorophenyl)-3-fluorophenyl]-6-propoxynaphthalene
SMILESCCCOc1ccc2cc(-c3ccc(-c4ccc(Cl)c(F)c4)c(F)c3)ccc2c1
InChIInChI=1S/C25H19ClF2O/c1-2-11-29-21-8-5-17-12-16(3-4-18(17)13-21)19-6-9-22(24(27)14-19)20-7-10-23(26)25(28)15-20/h3-10,12-15H,2,11H2,1H3
InChIKeyLSOBHQCCOXMWBO-UHFFFAOYSA-N
MW408.88 g/mol
LogP7.89
Rot. Bonds5

About 2-[4-(4-chloro-3-fluorophenyl)-3-fluorophenyl]-6-propoxynaphthalene

2-[4-(4-chloro-3-fluorophenyl)-3-fluorophenyl]-6-propoxynaphthalene (PubChem CID 129226020) has the molecular formula C25H19ClF2O and a molecular weight of 408.88 g/mol. Its IUPAC name is 2-[4-(4-chloro-3-fluorophenyl)-3-fluorophenyl]-6-propoxynaphthalene.

Molecular Properties

Compound Name2-[4-(4-chloro-3-fluorophenyl)-3-fluorophenyl]-6-propoxynaphthalene
PubChem CID129226020
Molecular FormulaC25H19ClF2O
Molecular Weight408.88 g/mol
Exact Mass408.11
IUPAC Name2-[4-(4-chloro-3-fluorophenyl)-3-fluorophenyl]-6-propoxynaphthalene
SMILESCCCOc1ccc2cc(-c3ccc(-c4ccc(Cl)c(F)c4)c(F)c3)ccc2c1
InChIInChI=1S/C25H19ClF2O/c1-2-11-29-21-8-5-17-12-16(3-4-18(17)13-21)19-6-9-22(24(27)14-19)20-7-10-23(26)25(28)15-20/h3-10,12-15H,2,11H2,1H3
InChIKeyLSOBHQCCOXMWBO-UHFFFAOYSA-N
XLogP7.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.88
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-fluoro-5-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]-6-(2-fluoro-4-propoxyphenyl)naphthalene
CID 134376480
2-chloro-6-propoxynaphthalene
CID 125116367
1-[4-(difluoromethoxy)phenyl]-2-fluoro-4-(4-propoxyphenyl)benzene
CID 67799012
3-fluoro-4-(4-propoxyphenyl)phenol
CID 83130933
2-(4-chloro-3-fluorophenyl)-5-(2-methoxyethoxy)benzaldehyde
CID 172653691
2-[3-fluoro-4-[4-[3-fluoro-5-methyl-4-[2-(4-propoxyphenyl)ethynyl]phenyl]phenyl]phenyl]-6-propylnaphthalene
CID 134371381
4-(4-butoxyphenyl)-2-chloro-1-fluorobenzene
CID 69208522
1,2-difluoro-6-[2-[4-(2-fluoro-4-propoxyphenyl)phenyl]ethynyl]naphthalene
CID 139857356
2-(2-fluoro-4-methoxyphenyl)-6-(2,2,2-trifluoroethoxy)naphthalene
CID 139856467
1-(4-chloro-3-fluorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 107993035
2,6-bis(6-hexoxynaphthalen-2-yl)anthracene
CID 102033937
2-decoxy-6-(4-pentoxyphenyl)naphthalene
CID 22676996

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chloro-3-fluorophenyl)-3-fluorophenyl]-6-propoxynaphthalene?
The IUPAC name of 2-[4-(4-chloro-3-fluorophenyl)-3-fluorophenyl]-6-propoxynaphthalene (CID 129226020) is 2-[4-(4-chloro-3-fluorophenyl)-3-fluorophenyl]-6-propoxynaphthalene.
What is the SMILES notation for 2-[4-(4-chloro-3-fluorophenyl)-3-fluorophenyl]-6-propoxynaphthalene?
The canonical SMILES for 2-[4-(4-chloro-3-fluorophenyl)-3-fluorophenyl]-6-propoxynaphthalene is CCCOc1ccc2cc(-c3ccc(-c4ccc(Cl)c(F)c4)c(F)c3)ccc2c1.
What is the InChIKey of 2-[4-(4-chloro-3-fluorophenyl)-3-fluorophenyl]-6-propoxynaphthalene?
The InChIKey is LSOBHQCCOXMWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClF2O/c1-2-11-29-21-8-5-17-12-16(3-4-18(17)13-21)19-6-9-22(24(27)14-19)20-7-10-23(26)25(28)15-20/h3-10,12-15H,2,11H2,1H3.
What are the key properties of 2-[4-(4-chloro-3-fluorophenyl)-3-fluorophenyl]-6-propoxynaphthalene?
2-[4-(4-chloro-3-fluorophenyl)-3-fluorophenyl]-6-propoxynaphthalene has a molecular weight of 408.88 g/mol, XLogP of 7.89, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chloro-3-fluorophenyl)-3-fluorophenyl]-6-propoxynaphthalene is sourced from PubChem (CID 129226020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).