1-(difluoromethoxy)-2-ethyl-6-(4-pentylphenyl)naphthalene

C24H26F2O — CID 139860834

IUPAC1-(difluoromethoxy)-2-ethyl-6-(4-pentylphenyl)naphthalene
SMILESCCCCCc1ccc(-c2ccc3c(OC(F)F)c(CC)ccc3c2)cc1
InChIInChI=1S/C24H26F2O/c1-3-5-6-7-17-8-10-19(11-9-17)20-14-15-22-21(16-20)13-12-18(4-2)23(22)27-24(25)26/h8-16,24H,3-7H2,1-2H3
InChIKeyCWIGEXLCPICTEL-UHFFFAOYSA-N
MW368.47 g/mol
LogP7.40
Rot. Bonds8

About 1-(difluoromethoxy)-2-ethyl-6-(4-pentylphenyl)naphthalene

1-(difluoromethoxy)-2-ethyl-6-(4-pentylphenyl)naphthalene (PubChem CID 139860834) has the molecular formula C24H26F2O and a molecular weight of 368.47 g/mol. Its IUPAC name is 1-(difluoromethoxy)-2-ethyl-6-(4-pentylphenyl)naphthalene.

Molecular Properties

Compound Name1-(difluoromethoxy)-2-ethyl-6-(4-pentylphenyl)naphthalene
PubChem CID139860834
Molecular FormulaC24H26F2O
Molecular Weight368.47 g/mol
Exact Mass368.20
IUPAC Name1-(difluoromethoxy)-2-ethyl-6-(4-pentylphenyl)naphthalene
SMILESCCCCCc1ccc(-c2ccc3c(OC(F)F)c(CC)ccc3c2)cc1
InChIInChI=1S/C24H26F2O/c1-3-5-6-7-17-8-10-19(11-9-17)20-14-15-22-21(16-20)13-12-18(4-2)23(22)27-24(25)26/h8-16,24H,3-7H2,1-2H3
InChIKeyCWIGEXLCPICTEL-UHFFFAOYSA-N
XLogP7.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.47
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-but-3-enyl-1-(difluoromethoxy)-6-(4-pentylphenyl)naphthalene
CID 139860637
1-(difluoromethoxy)-6-(4-ethylphenyl)-2-propylnaphthalene
CID 139863904
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-(4-hexylphenyl)naphthalene
CID 139875090
7,20-bis(4-dodecylphenyl)hexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411450
6-(2,6-difluoro-4-heptylphenyl)-2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoronaphthalene
CID 139873860
1-(difluoromethoxy)-4-(4-heptylphenyl)benzene
CID 19436442
6-(4-butylphenyl)-2-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethynyl]-1-fluoronaphthalene
CID 139851505
1,2-difluoro-6-(4-hexylphenyl)naphthalene
CID 139846673
1-fluoro-6-(4-pentylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139873693
1-(difluoromethoxy)-2-ethyl-6-(4-pentylcyclohexyl)naphthalene
CID 139861191
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-(4-hexylphenyl)ethyl]naphthalene
CID 139875231
6-(4-butylphenyl)-1-fluoro-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene
CID 139871424

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-2-ethyl-6-(4-pentylphenyl)naphthalene?
The IUPAC name of 1-(difluoromethoxy)-2-ethyl-6-(4-pentylphenyl)naphthalene (CID 139860834) is 1-(difluoromethoxy)-2-ethyl-6-(4-pentylphenyl)naphthalene.
What is the SMILES notation for 1-(difluoromethoxy)-2-ethyl-6-(4-pentylphenyl)naphthalene?
The canonical SMILES for 1-(difluoromethoxy)-2-ethyl-6-(4-pentylphenyl)naphthalene is CCCCCc1ccc(-c2ccc3c(OC(F)F)c(CC)ccc3c2)cc1.
What is the InChIKey of 1-(difluoromethoxy)-2-ethyl-6-(4-pentylphenyl)naphthalene?
The InChIKey is CWIGEXLCPICTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2O/c1-3-5-6-7-17-8-10-19(11-9-17)20-14-15-22-21(16-20)13-12-18(4-2)23(22)27-24(25)26/h8-16,24H,3-7H2,1-2H3.
What are the key properties of 1-(difluoromethoxy)-2-ethyl-6-(4-pentylphenyl)naphthalene?
1-(difluoromethoxy)-2-ethyl-6-(4-pentylphenyl)naphthalene has a molecular weight of 368.47 g/mol, XLogP of 7.40, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-2-ethyl-6-(4-pentylphenyl)naphthalene is sourced from PubChem (CID 139860834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).