6-[(2,6-dimethyl-4-phenylphenyl)-difluoromethoxy]-1,3-difluoro-2-methylnaphthalene

C26H20F4O — CID 144604605

IUPAC6-[(2,6-dimethyl-4-phenylphenyl)-difluoromethoxy]-1,3-difluoro-2-methylnaphthalene
SMILESCc1cc(-c2ccccc2)cc(C)c1C(F)(F)Oc1ccc2c(F)c(C)c(F)cc2c1
InChIInChI=1S/C26H20F4O/c1-15-11-19(18-7-5-4-6-8-18)12-16(2)24(15)26(29,30)31-21-9-10-22-20(13-21)14-23(27)17(3)25(22)28/h4-14H,1-3H3
InChIKeyYMQIMMNSRFCIER-UHFFFAOYSA-N
MW424.44 g/mol
LogP7.84
Rot. Bonds4

About 6-[(2,6-dimethyl-4-phenylphenyl)-difluoromethoxy]-1,3-difluoro-2-methylnaphthalene

6-[(2,6-dimethyl-4-phenylphenyl)-difluoromethoxy]-1,3-difluoro-2-methylnaphthalene (PubChem CID 144604605) has the molecular formula C26H20F4O and a molecular weight of 424.44 g/mol. Its IUPAC name is 6-[(2,6-dimethyl-4-phenylphenyl)-difluoromethoxy]-1,3-difluoro-2-methylnaphthalene.

Molecular Properties

Compound Name6-[(2,6-dimethyl-4-phenylphenyl)-difluoromethoxy]-1,3-difluoro-2-methylnaphthalene
PubChem CID144604605
Molecular FormulaC26H20F4O
Molecular Weight424.44 g/mol
Exact Mass424.15
IUPAC Name6-[(2,6-dimethyl-4-phenylphenyl)-difluoromethoxy]-1,3-difluoro-2-methylnaphthalene
SMILESCc1cc(-c2ccccc2)cc(C)c1C(F)(F)Oc1ccc2c(F)c(C)c(F)cc2c1
InChIInChI=1S/C26H20F4O/c1-15-11-19(18-7-5-4-6-8-18)12-16(2)24(15)26(29,30)31-21-9-10-22-20(13-21)14-23(27)17(3)25(22)28/h4-14H,1-3H3
InChIKeyYMQIMMNSRFCIER-UHFFFAOYSA-N
XLogP7.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.44
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-[4-[difluoro-(2,4,6-trimethylphenyl)methoxy]phenyl]-1,3,8-trifluoro-2-methylnaphthalene
CID 58755953
2-(3,5-difluoro-4-methylphenyl)-6-[difluoro-(2,4,6-trimethylphenyl)methoxy]naphthalene
CID 58755996
6-[[2,6-difluoro-4-(2-fluoro-4-phenylphenyl)phenyl]-difluoromethoxy]-1,3-difluoro-2-iodonaphthalene
CID 138458885
(5,7-difluoro-6-methylnaphthalen-2-yl) hypofluorite
CID 144604583
2-[(3,4-difluoro-5-methylphenoxy)-difluoromethyl]-1,3-dimethyl-5-(4-methylphenyl)benzene;ethane
CID 143209927
6-[[2,6-difluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]-difluoromethoxy]-1,2,3-trifluoronaphthalene
CID 134554735
6-[[2,3-difluoro-4-[4-(4-methylphenyl)phenyl]phenyl]-difluoromethoxy]-1,2,3-trifluoronaphthalene
CID 118900750
6-[(2,6-difluoro-4-prop-2-enoxyphenyl)-difluoromethoxy]-1,2,3-trifluoronaphthalene
CID 139854100
6-[4-[difluoro-(2,4,6-trimethylphenyl)methoxy]phenyl]-2-methyl-1-(trifluoromethyl)naphthalene
CID 58755986
6-[[2,6-difluoro-4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene
CID 138468373
6-[4-[(2,6-difluoro-4-propylphenyl)-difluoromethoxy]phenyl]-1,2,3-trifluoronaphthalene
CID 134554711
2-[difluoro-(2,4,6-trimethylphenyl)methoxy]-6-[4-methyl-3-(trifluoromethyl)phenyl]naphthalene
CID 58756011

Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-dimethyl-4-phenylphenyl)-difluoromethoxy]-1,3-difluoro-2-methylnaphthalene?
The IUPAC name of 6-[(2,6-dimethyl-4-phenylphenyl)-difluoromethoxy]-1,3-difluoro-2-methylnaphthalene (CID 144604605) is 6-[(2,6-dimethyl-4-phenylphenyl)-difluoromethoxy]-1,3-difluoro-2-methylnaphthalene.
What is the SMILES notation for 6-[(2,6-dimethyl-4-phenylphenyl)-difluoromethoxy]-1,3-difluoro-2-methylnaphthalene?
The canonical SMILES for 6-[(2,6-dimethyl-4-phenylphenyl)-difluoromethoxy]-1,3-difluoro-2-methylnaphthalene is Cc1cc(-c2ccccc2)cc(C)c1C(F)(F)Oc1ccc2c(F)c(C)c(F)cc2c1.
What is the InChIKey of 6-[(2,6-dimethyl-4-phenylphenyl)-difluoromethoxy]-1,3-difluoro-2-methylnaphthalene?
The InChIKey is YMQIMMNSRFCIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F4O/c1-15-11-19(18-7-5-4-6-8-18)12-16(2)24(15)26(29,30)31-21-9-10-22-20(13-21)14-23(27)17(3)25(22)28/h4-14H,1-3H3.
What are the key properties of 6-[(2,6-dimethyl-4-phenylphenyl)-difluoromethoxy]-1,3-difluoro-2-methylnaphthalene?
6-[(2,6-dimethyl-4-phenylphenyl)-difluoromethoxy]-1,3-difluoro-2-methylnaphthalene has a molecular weight of 424.44 g/mol, XLogP of 7.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-dimethyl-4-phenylphenyl)-difluoromethoxy]-1,3-difluoro-2-methylnaphthalene is sourced from PubChem (CID 144604605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).