1-(difluoromethoxy)-6-(4-ethylphenyl)-2-propylnaphthalene

C22H22F2O — CID 139863904

IUPAC1-(difluoromethoxy)-6-(4-ethylphenyl)-2-propylnaphthalene
SMILESCCCc1ccc2cc(-c3ccc(CC)cc3)ccc2c1OC(F)F
InChIInChI=1S/C22H22F2O/c1-3-5-17-10-11-19-14-18(16-8-6-15(4-2)7-9-16)12-13-20(19)21(17)25-22(23)24/h6-14,22H,3-5H2,1-2H3
InChIKeyDWVMBTWRLSAMSU-UHFFFAOYSA-N
MW340.41 g/mol
LogP6.62
Rot. Bonds6

About 1-(difluoromethoxy)-6-(4-ethylphenyl)-2-propylnaphthalene

1-(difluoromethoxy)-6-(4-ethylphenyl)-2-propylnaphthalene (PubChem CID 139863904) has the molecular formula C22H22F2O and a molecular weight of 340.41 g/mol. Its IUPAC name is 1-(difluoromethoxy)-6-(4-ethylphenyl)-2-propylnaphthalene.

Molecular Properties

Compound Name1-(difluoromethoxy)-6-(4-ethylphenyl)-2-propylnaphthalene
PubChem CID139863904
Molecular FormulaC22H22F2O
Molecular Weight340.41 g/mol
Exact Mass340.16
IUPAC Name1-(difluoromethoxy)-6-(4-ethylphenyl)-2-propylnaphthalene
SMILESCCCc1ccc2cc(-c3ccc(CC)cc3)ccc2c1OC(F)F
InChIInChI=1S/C22H22F2O/c1-3-5-17-10-11-19-14-18(16-8-6-15(4-2)7-9-16)12-13-20(19)21(17)25-22(23)24/h6-14,22H,3-5H2,1-2H3
InChIKeyDWVMBTWRLSAMSU-UHFFFAOYSA-N
XLogP6.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.41
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(difluoromethoxy)-2-ethyl-6-(4-pentylphenyl)naphthalene
CID 139860834
2-but-3-enyl-1-(difluoromethoxy)-6-(4-pentylphenyl)naphthalene
CID 139860637
1-ethyl-4-(4-ethylphenyl)-2-propylbenzene
CID 143540689
6-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-1-fluoro-2-propylnaphthalene
CID 139876912
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-(4-hexylphenyl)naphthalene
CID 139875090
2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[4-(2-methoxyethyl)phenyl]naphthalene
CID 139874733
6-(4-butylphenyl)-2-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethynyl]-1-fluoronaphthalene
CID 139851505
2-ethyl-7-(4-fluorophenyl)phenanthrene
CID 139883413
2-but-3-enyl-3-(difluoromethoxy)-1-fluoro-6-(4-propylphenyl)naphthalene
CID 139860531
1-(difluoromethoxy)-4-[4-(4-ethylphenyl)-2-fluorophenyl]-2-fluorobenzene
CID 67798587
2-(difluoromethoxy)-1-fluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]naphthalene
CID 139855555
2-but-2-enoxy-3-(difluoromethoxy)-6-(4-ethylphenyl)-1-fluoronaphthalene
CID 139861606

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-6-(4-ethylphenyl)-2-propylnaphthalene?
The IUPAC name of 1-(difluoromethoxy)-6-(4-ethylphenyl)-2-propylnaphthalene (CID 139863904) is 1-(difluoromethoxy)-6-(4-ethylphenyl)-2-propylnaphthalene.
What is the SMILES notation for 1-(difluoromethoxy)-6-(4-ethylphenyl)-2-propylnaphthalene?
The canonical SMILES for 1-(difluoromethoxy)-6-(4-ethylphenyl)-2-propylnaphthalene is CCCc1ccc2cc(-c3ccc(CC)cc3)ccc2c1OC(F)F.
What is the InChIKey of 1-(difluoromethoxy)-6-(4-ethylphenyl)-2-propylnaphthalene?
The InChIKey is DWVMBTWRLSAMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2O/c1-3-5-17-10-11-19-14-18(16-8-6-15(4-2)7-9-16)12-13-20(19)21(17)25-22(23)24/h6-14,22H,3-5H2,1-2H3.
What are the key properties of 1-(difluoromethoxy)-6-(4-ethylphenyl)-2-propylnaphthalene?
1-(difluoromethoxy)-6-(4-ethylphenyl)-2-propylnaphthalene has a molecular weight of 340.41 g/mol, XLogP of 6.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-6-(4-ethylphenyl)-2-propylnaphthalene is sourced from PubChem (CID 139863904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).