1,2-difluoro-8-phenylmethoxy-3-(4-propylphenyl)naphthalene

C26H22F2O — CID 59227729

IUPAC1,2-difluoro-8-phenylmethoxy-3-(4-propylphenyl)naphthalene
SMILESCCCc1ccc(-c2cc3cccc(OCc4ccccc4)c3c(F)c2F)cc1
InChIInChI=1S/C26H22F2O/c1-2-7-18-12-14-20(15-13-18)22-16-21-10-6-11-23(24(21)26(28)25(22)27)29-17-19-8-4-3-5-9-19/h3-6,8-16H,2,7,17H2,1H3
InChIKeyFWXHFJFUKVDKND-UHFFFAOYSA-N
MW388.46 g/mol
LogP7.32
Rot. Bonds6

About 1,2-difluoro-8-phenylmethoxy-3-(4-propylphenyl)naphthalene

1,2-difluoro-8-phenylmethoxy-3-(4-propylphenyl)naphthalene (PubChem CID 59227729) has the molecular formula C26H22F2O and a molecular weight of 388.46 g/mol. Its IUPAC name is 1,2-difluoro-8-phenylmethoxy-3-(4-propylphenyl)naphthalene.

Molecular Properties

Compound Name1,2-difluoro-8-phenylmethoxy-3-(4-propylphenyl)naphthalene
PubChem CID59227729
Molecular FormulaC26H22F2O
Molecular Weight388.46 g/mol
Exact Mass388.16
IUPAC Name1,2-difluoro-8-phenylmethoxy-3-(4-propylphenyl)naphthalene
SMILESCCCc1ccc(-c2cc3cccc(OCc4ccccc4)c3c(F)c2F)cc1
InChIInChI=1S/C26H22F2O/c1-2-7-18-12-14-20(15-13-18)22-16-21-10-6-11-23(24(21)26(28)25(22)27)29-17-19-8-4-3-5-9-19/h3-6,8-16H,2,7,17H2,1H3
InChIKeyFWXHFJFUKVDKND-UHFFFAOYSA-N
XLogP7.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.46
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,8-trifluoro-7-pentyl-3-(4-propylphenyl)naphthalene
CID 139861938
2,3-difluoro-1-[4-[(2-fluoro-4-propylphenoxy)methyl]phenyl]-4-methylbenzene
CID 58140637
7-ethyl-1,2-difluoro-3-(4-propylphenyl)naphthalene
CID 139863141
1,2,8-trifluoro-3-(4-pentylphenyl)-7-propylnaphthalene
CID 139864133
1,3,4-trifluoro-2-methyl-5-(4-propylphenyl)benzene
CID 54541075
2,3-difluoro-1-propoxy-4-[(4-propylphenyl)methoxy]benzene
CID 145339803
7-fluoro-1-phenylmethoxynaphthalene
CID 154464455
2-ethyl-1,8,9-trifluoro-7-(4-propylphenyl)-1H-cyclopenta[a]naphthalene
CID 130231480
1-phenylmethoxy-3-propylbenzene
CID 58977798
1-fluoro-4-[2-[(4-methylphenyl)methoxy]phenyl]benzene
CID 123297454
1-(4-bromophenyl)-2,3-difluoro-4-phenylmethoxybenzene
CID 54164319
(5,6-difluoro-4-phenylmethoxynaphthalen-2-yl)methanol
CID 169228106

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-8-phenylmethoxy-3-(4-propylphenyl)naphthalene?
The IUPAC name of 1,2-difluoro-8-phenylmethoxy-3-(4-propylphenyl)naphthalene (CID 59227729) is 1,2-difluoro-8-phenylmethoxy-3-(4-propylphenyl)naphthalene.
What is the SMILES notation for 1,2-difluoro-8-phenylmethoxy-3-(4-propylphenyl)naphthalene?
The canonical SMILES for 1,2-difluoro-8-phenylmethoxy-3-(4-propylphenyl)naphthalene is CCCc1ccc(-c2cc3cccc(OCc4ccccc4)c3c(F)c2F)cc1.
What is the InChIKey of 1,2-difluoro-8-phenylmethoxy-3-(4-propylphenyl)naphthalene?
The InChIKey is FWXHFJFUKVDKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2O/c1-2-7-18-12-14-20(15-13-18)22-16-21-10-6-11-23(24(21)26(28)25(22)27)29-17-19-8-4-3-5-9-19/h3-6,8-16H,2,7,17H2,1H3.
What are the key properties of 1,2-difluoro-8-phenylmethoxy-3-(4-propylphenyl)naphthalene?
1,2-difluoro-8-phenylmethoxy-3-(4-propylphenyl)naphthalene has a molecular weight of 388.46 g/mol, XLogP of 7.32, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-8-phenylmethoxy-3-(4-propylphenyl)naphthalene is sourced from PubChem (CID 59227729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).