1,2-difluoro-7-(4-methoxyphenyl)-3-propylnaphthalene

C20H18F2O — CID 139863571

IUPAC1,2-difluoro-7-(4-methoxyphenyl)-3-propylnaphthalene
SMILESCCCc1cc2ccc(-c3ccc(OC)cc3)cc2c(F)c1F
InChIInChI=1S/C20H18F2O/c1-3-4-16-11-15-6-5-14(12-18(15)20(22)19(16)21)13-7-9-17(23-2)10-8-13/h5-12H,3-4H2,1-2H3
InChIKeyMFRPRWVQWJRZRU-UHFFFAOYSA-N
MW312.36 g/mol
LogP5.75
Rot. Bonds4

About 1,2-difluoro-7-(4-methoxyphenyl)-3-propylnaphthalene

1,2-difluoro-7-(4-methoxyphenyl)-3-propylnaphthalene (PubChem CID 139863571) has the molecular formula C20H18F2O and a molecular weight of 312.36 g/mol. Its IUPAC name is 1,2-difluoro-7-(4-methoxyphenyl)-3-propylnaphthalene.

Molecular Properties

Compound Name1,2-difluoro-7-(4-methoxyphenyl)-3-propylnaphthalene
PubChem CID139863571
Molecular FormulaC20H18F2O
Molecular Weight312.36 g/mol
Exact Mass312.13
IUPAC Name1,2-difluoro-7-(4-methoxyphenyl)-3-propylnaphthalene
SMILESCCCc1cc2ccc(-c3ccc(OC)cc3)cc2c(F)c1F
InChIInChI=1S/C20H18F2O/c1-3-4-16-11-15-6-5-14(12-18(15)20(22)19(16)21)13-7-9-17(23-2)10-8-13/h5-12H,3-4H2,1-2H3
InChIKeyMFRPRWVQWJRZRU-UHFFFAOYSA-N
XLogP5.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.36
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-difluoro-3-pentyl-7-(4-prop-2-enoxyphenyl)naphthalene
CID 139861060
7-(4-but-2-enoxyphenyl)-1,2-difluoro-3-pentylnaphthalene
CID 139863077
2-ethyl-1-fluoro-6-(4-methoxyphenyl)naphthalene
CID 139860447
5-(4-methoxyphenyl)-2,3-dimethyl-7-propyl-1-benzofuran
CID 102449947
7-chloro-1-(4-methoxyphenyl)-2-propylnaphthalene
CID 139260247
3-(4-but-3-enylphenyl)-1,2-difluoro-7-methoxynaphthalene
CID 139860462
1,2-difluoro-7-methoxy-3-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]naphthalene
CID 139863663
1-ethyl-2,3-difluoro-4-[[4-(3-fluoro-4-propylphenyl)phenoxy]methyl]benzene
CID 70961305
2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734
2-fluoro-1-(3-fluoro-4-pentylphenyl)-4-(4-methoxyphenyl)benzene
CID 23391170
1,9-difluoro-2-propyl-7-[4-(trifluoromethoxy)phenyl]phenanthrene
CID 22045652
5-(4-methoxyphenyl)indene-1,2,3-trione
CID 58803268

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-7-(4-methoxyphenyl)-3-propylnaphthalene?
The IUPAC name of 1,2-difluoro-7-(4-methoxyphenyl)-3-propylnaphthalene (CID 139863571) is 1,2-difluoro-7-(4-methoxyphenyl)-3-propylnaphthalene.
What is the SMILES notation for 1,2-difluoro-7-(4-methoxyphenyl)-3-propylnaphthalene?
The canonical SMILES for 1,2-difluoro-7-(4-methoxyphenyl)-3-propylnaphthalene is CCCc1cc2ccc(-c3ccc(OC)cc3)cc2c(F)c1F.
What is the InChIKey of 1,2-difluoro-7-(4-methoxyphenyl)-3-propylnaphthalene?
The InChIKey is MFRPRWVQWJRZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2O/c1-3-4-16-11-15-6-5-14(12-18(15)20(22)19(16)21)13-7-9-17(23-2)10-8-13/h5-12H,3-4H2,1-2H3.
What are the key properties of 1,2-difluoro-7-(4-methoxyphenyl)-3-propylnaphthalene?
1,2-difluoro-7-(4-methoxyphenyl)-3-propylnaphthalene has a molecular weight of 312.36 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-7-(4-methoxyphenyl)-3-propylnaphthalene is sourced from PubChem (CID 139863571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).