2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-[2-[4-(2-methoxyethyl)phenyl]ethyl]naphthalene

C29H28ClFO — CID 139871300

IUPAC2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-[2-[4-(2-methoxyethyl)phenyl]ethyl]naphthalene
SMILESCOCCc1ccc(CCc2ccc3c(F)c(CCc4ccc(Cl)cc4)ccc3c2)cc1
InChIInChI=1S/C29H28ClFO/c1-32-19-18-23-4-2-21(3-5-23)6-7-24-11-17-28-26(20-24)14-13-25(29(28)31)12-8-22-9-15-27(30)16-10-22/h2-5,9-11,13-17,20H,6-8,12,18-19H2,1H3
InChIKeyIPQOLCJXUXNMLZ-UHFFFAOYSA-N
MW446.99 g/mol
LogP7.39
Rot. Bonds9

About 2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-[2-[4-(2-methoxyethyl)phenyl]ethyl]naphthalene

2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-[2-[4-(2-methoxyethyl)phenyl]ethyl]naphthalene (PubChem CID 139871300) has the molecular formula C29H28ClFO and a molecular weight of 446.99 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-[2-[4-(2-methoxyethyl)phenyl]ethyl]naphthalene.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-[2-[4-(2-methoxyethyl)phenyl]ethyl]naphthalene
PubChem CID139871300
Molecular FormulaC29H28ClFO
Molecular Weight446.99 g/mol
Exact Mass446.18
IUPAC Name2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-[2-[4-(2-methoxyethyl)phenyl]ethyl]naphthalene
SMILESCOCCc1ccc(CCc2ccc3c(F)c(CCc4ccc(Cl)cc4)ccc3c2)cc1
InChIInChI=1S/C29H28ClFO/c1-32-19-18-23-4-2-21(3-5-23)6-7-24-11-17-28-26(20-24)14-13-25(29(28)31)12-8-22-9-15-27(30)16-10-22/h2-5,9-11,13-17,20H,6-8,12,18-19H2,1H3
InChIKeyIPQOLCJXUXNMLZ-UHFFFAOYSA-N
XLogP7.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.99
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(Z)-1-(4-chlorophenyl)-3-fluoro-4-naphthalen-2-ylbut-3-en-1-ol
CID 177852382
6-(4-Chlorophenyl)-5-(naphthalen-2-yl)-2-oxaspiro[3.3]heptane
CID 172635858
1-[6-[4-(4-Chlorophenyl)-3,5-difluorophenyl]-7-fluoroheptan-2-yl]naphthalene
CID 17784209
1-Chloro-4-[2,2-difluoro-2-[4-[4-[4-(methoxymethyl)cyclohexyl]phenyl]cyclohexyl]ethyl]-2-fluorobenzene
CID 18344076
1-Chloro-4-[4-[4-[2,2-difluoro-2-[4-(methoxymethyl)cyclohexyl]ethyl]cyclohexyl]phenyl]-2-fluorobenzene
CID 18344087
2-[4-(4-Chloro-3-fluorophenyl)phenyl]-5-[2,2-difluoro-2-[4-(methoxymethyl)cyclohexyl]ethyl]-1,3-difluorobenzene
CID 18344205
1-Chloro-2-fluoro-4-[4-[4-[4-(3-methoxypropyl)cyclohexyl]cyclohexyl]phenyl]benzene
CID 18997831
1-Chloro-2-fluoro-4-[4-[2-[4-[4-(3-methoxypropyl)cyclohexyl]cyclohexyl]ethyl]phenyl]benzene
CID 18997837
1-Chloro-4-[4-[4-(3-ethoxypropyl)cyclohexyl]phenyl]-2-fluorobenzene
CID 20084035
1-Chloro-2-fluoro-4-[4-[4-(5-methoxypentyl)cyclohexyl]phenyl]benzene
CID 20084040
1-Chloro-2-fluoro-4-[4-[4-(3-methoxypropyl)cyclohexyl]phenyl]benzene
CID 20084048
1-Chloro-2-fluoro-4-[4-(2-methoxyethyl)phenyl]benzene
CID 20084095

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-[2-[4-(2-methoxyethyl)phenyl]ethyl]naphthalene?
The IUPAC name of 2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-[2-[4-(2-methoxyethyl)phenyl]ethyl]naphthalene (CID 139871300) is 2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-[2-[4-(2-methoxyethyl)phenyl]ethyl]naphthalene.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-[2-[4-(2-methoxyethyl)phenyl]ethyl]naphthalene?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-[2-[4-(2-methoxyethyl)phenyl]ethyl]naphthalene is COCCc1ccc(CCc2ccc3c(F)c(CCc4ccc(Cl)cc4)ccc3c2)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-[2-[4-(2-methoxyethyl)phenyl]ethyl]naphthalene?
The InChIKey is IPQOLCJXUXNMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClFO/c1-32-19-18-23-4-2-21(3-5-23)6-7-24-11-17-28-26(20-24)14-13-25(29(28)31)12-8-22-9-15-27(30)16-10-22/h2-5,9-11,13-17,20H,6-8,12,18-19H2,1H3.
What are the key properties of 2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-[2-[4-(2-methoxyethyl)phenyl]ethyl]naphthalene?
2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-[2-[4-(2-methoxyethyl)phenyl]ethyl]naphthalene has a molecular weight of 446.99 g/mol, XLogP of 7.39, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-[2-[4-(2-methoxyethyl)phenyl]ethyl]naphthalene is sourced from PubChem (CID 139871300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).