6-[4-(4-chlorophenyl)-3-fluorophenyl]naphthalen-2-ol

C22H14ClFO — CID 129226037

IUPAC6-[4-(4-chlorophenyl)-3-fluorophenyl]naphthalen-2-ol
SMILESOc1ccc2cc(-c3ccc(-c4ccc(Cl)cc4)c(F)c3)ccc2c1
InChIInChI=1S/C22H14ClFO/c23-19-7-3-14(4-8-19)21-10-6-18(13-22(21)24)15-1-2-17-12-20(25)9-5-16(17)11-15/h1-13,25H
InChIKeyYSRVZSVOBBPMIQ-UHFFFAOYSA-N
MW348.80 g/mol
LogP6.67
Rot. Bonds2

About 6-[4-(4-chlorophenyl)-3-fluorophenyl]naphthalen-2-ol

6-[4-(4-chlorophenyl)-3-fluorophenyl]naphthalen-2-ol (PubChem CID 129226037) has the molecular formula C22H14ClFO and a molecular weight of 348.80 g/mol. Its IUPAC name is 6-[4-(4-chlorophenyl)-3-fluorophenyl]naphthalen-2-ol.

Molecular Properties

Compound Name6-[4-(4-chlorophenyl)-3-fluorophenyl]naphthalen-2-ol
PubChem CID129226037
Molecular FormulaC22H14ClFO
Molecular Weight348.80 g/mol
Exact Mass348.07
IUPAC Name6-[4-(4-chlorophenyl)-3-fluorophenyl]naphthalen-2-ol
SMILESOc1ccc2cc(-c3ccc(-c4ccc(Cl)cc4)c(F)c3)ccc2c1
InChIInChI=1S/C22H14ClFO/c23-19-7-3-14(4-8-19)21-10-6-18(13-22(21)24)15-1-2-17-12-20(25)9-5-16(17)11-15/h1-13,25H
InChIKeyYSRVZSVOBBPMIQ-UHFFFAOYSA-N
XLogP6.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.80
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-chloro-2-fluorophenyl)phenol
CID 83128689
6-[4-(4-chlorophenyl)-3-fluorophenyl]naphthalen-2-ol;[6-[4-(4-chlorophenyl)-3-fluorophenyl]naphthalen-2-yl] trifluoromethanesulfonate;deuterioethane
CID 161424050
4-[4-(3,4-difluorophenyl)-2-fluorophenyl]phenol
CID 175346756
4-(4-chlorophenyl)-2-fluoro-1-(4-fluorophenyl)benzene
CID 176837829
ethane;6-(3,4,5-trifluorophenyl)naphthalen-2-ol
CID 143846486
6-(4-hydroxyphenyl)naphthalen-2-ol;methane
CID 69476314
4-(3-chlorophenyl)-3-fluorophenol
CID 53219360
4-(3-chloro-5-fluorophenyl)-3-fluorophenol
CID 53219503
4-chloro-2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]benzene;ethane
CID 143948074
5-(6-hydroxynaphthalen-2-yl)benzene-1,3-diol
CID 11514345
4-[3-fluoro-4-(4-isocyanophenyl)phenyl]phenol
CID 22899365
4-chloro-2-fluoro-1-phenylbenzene
CID 18364130

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-chlorophenyl)-3-fluorophenyl]naphthalen-2-ol?
The IUPAC name of 6-[4-(4-chlorophenyl)-3-fluorophenyl]naphthalen-2-ol (CID 129226037) is 6-[4-(4-chlorophenyl)-3-fluorophenyl]naphthalen-2-ol.
What is the SMILES notation for 6-[4-(4-chlorophenyl)-3-fluorophenyl]naphthalen-2-ol?
The canonical SMILES for 6-[4-(4-chlorophenyl)-3-fluorophenyl]naphthalen-2-ol is Oc1ccc2cc(-c3ccc(-c4ccc(Cl)cc4)c(F)c3)ccc2c1.
What is the InChIKey of 6-[4-(4-chlorophenyl)-3-fluorophenyl]naphthalen-2-ol?
The InChIKey is YSRVZSVOBBPMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClFO/c23-19-7-3-14(4-8-19)21-10-6-18(13-22(21)24)15-1-2-17-12-20(25)9-5-16(17)11-15/h1-13,25H.
What are the key properties of 6-[4-(4-chlorophenyl)-3-fluorophenyl]naphthalen-2-ol?
6-[4-(4-chlorophenyl)-3-fluorophenyl]naphthalen-2-ol has a molecular weight of 348.80 g/mol, XLogP of 6.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-chlorophenyl)-3-fluorophenyl]naphthalen-2-ol is sourced from PubChem (CID 129226037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).