2-(6-fluorohexyl)-1-[4-(2-methoxyethoxy)phenyl]-4-[2-(4-methoxyphenoxy)ethoxy]benzene

C30H37FO5 — CID 135247881

IUPAC2-(6-fluorohexyl)-1-[4-(2-methoxyethoxy)phenyl]-4-[2-(4-methoxyphenoxy)ethoxy]benzene
SMILESCOCCOc1ccc(-c2ccc(OCCOc3ccc(OC)cc3)cc2CCCCCCF)cc1
InChIInChI=1S/C30H37FO5/c1-32-19-20-34-27-10-8-24(9-11-27)30-17-16-29(23-25(30)7-5-3-4-6-18-31)36-22-21-35-28-14-12-26(33-2)13-15-28/h8-17,23H,3-7,18-22H2,1-2H3
InChIKeyFSXJABXGKYNNQW-UHFFFAOYSA-N
MW496.62 g/mol
LogP6.92
Rot. Bonds17

About 2-(6-fluorohexyl)-1-[4-(2-methoxyethoxy)phenyl]-4-[2-(4-methoxyphenoxy)ethoxy]benzene

2-(6-fluorohexyl)-1-[4-(2-methoxyethoxy)phenyl]-4-[2-(4-methoxyphenoxy)ethoxy]benzene (PubChem CID 135247881) has the molecular formula C30H37FO5 and a molecular weight of 496.62 g/mol. Its IUPAC name is 2-(6-fluorohexyl)-1-[4-(2-methoxyethoxy)phenyl]-4-[2-(4-methoxyphenoxy)ethoxy]benzene.

Molecular Properties

Compound Name2-(6-fluorohexyl)-1-[4-(2-methoxyethoxy)phenyl]-4-[2-(4-methoxyphenoxy)ethoxy]benzene
PubChem CID135247881
Molecular FormulaC30H37FO5
Molecular Weight496.62 g/mol
Exact Mass496.26
IUPAC Name2-(6-fluorohexyl)-1-[4-(2-methoxyethoxy)phenyl]-4-[2-(4-methoxyphenoxy)ethoxy]benzene
SMILESCOCCOc1ccc(-c2ccc(OCCOc3ccc(OC)cc3)cc2CCCCCCF)cc1
InChIInChI=1S/C30H37FO5/c1-32-19-20-34-27-10-8-24(9-11-27)30-17-16-29(23-25(30)7-5-3-4-6-18-31)36-22-21-35-28-14-12-26(33-2)13-15-28/h8-17,23H,3-7,18-22H2,1-2H3
InChIKeyFSXJABXGKYNNQW-UHFFFAOYSA-N
XLogP6.92
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.62
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(6-fluorohexyl)-1-[4-(2-methoxyethoxy)phenyl]-4-[2-(4-methoxyphenoxy)ethoxy]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[2-(4-fluorobutyl)-4-(4-hydroxyphenyl)phenyl]phenoxy]ethyl 2-(methoxymethyl)prop-2-enoate
CID 135247557
2-[4-[2-(4-fluorobutyl)-4-(4-hydroxyphenyl)phenyl]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate
CID 135247654
1-bromo-4-(2-methoxyethoxy)-2-(3-methoxypropyl)benzene
CID 58083361
1-iodo-4-methoxy-2-(7-methoxyheptyl)benzene
CID 71011594
2,3-difluoro-1-(2-methoxyethyl)-4-(4-methoxyphenyl)benzene
CID 90128765
ethane;1-methoxy-4-(4-methoxybutoxy)benzene
CID 143283261
ethane;1-methoxy-4-(3-methoxypropoxy)benzene
CID 143283206
1-butoxy-4-[4-(4-fluorobutyl)phenyl]benzene
CID 19789101
1-(4-ethoxyphenyl)-2,3-difluoro-4-[4-(6-methoxyhexoxy)phenyl]benzene
CID 90049279
2,3-difluoro-1-(4-octoxyphenyl)-4-pentylbenzene
CID 20665389
2-[4-[4-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]-2-pentylphenyl]phenoxy]ethyl 3-hydroxy-2-methylpropanoate
CID 134245685
4-[4-(6-fluorohexyl)-3-[2-(6-fluorohexyl)-5-[3-(hydroxymethyl)but-3-enoxy]phenyl]phenoxy]-2-methylidenebutan-1-ol;formaldehyde;formic acid;methanol
CID 142282739

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluorohexyl)-1-[4-(2-methoxyethoxy)phenyl]-4-[2-(4-methoxyphenoxy)ethoxy]benzene?
The IUPAC name of 2-(6-fluorohexyl)-1-[4-(2-methoxyethoxy)phenyl]-4-[2-(4-methoxyphenoxy)ethoxy]benzene (CID 135247881) is 2-(6-fluorohexyl)-1-[4-(2-methoxyethoxy)phenyl]-4-[2-(4-methoxyphenoxy)ethoxy]benzene.
What is the SMILES notation for 2-(6-fluorohexyl)-1-[4-(2-methoxyethoxy)phenyl]-4-[2-(4-methoxyphenoxy)ethoxy]benzene?
The canonical SMILES for 2-(6-fluorohexyl)-1-[4-(2-methoxyethoxy)phenyl]-4-[2-(4-methoxyphenoxy)ethoxy]benzene is COCCOc1ccc(-c2ccc(OCCOc3ccc(OC)cc3)cc2CCCCCCF)cc1.
What is the InChIKey of 2-(6-fluorohexyl)-1-[4-(2-methoxyethoxy)phenyl]-4-[2-(4-methoxyphenoxy)ethoxy]benzene?
The InChIKey is FSXJABXGKYNNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37FO5/c1-32-19-20-34-27-10-8-24(9-11-27)30-17-16-29(23-25(30)7-5-3-4-6-18-31)36-22-21-35-28-14-12-26(33-2)13-15-28/h8-17,23H,3-7,18-22H2,1-2H3.
What are the key properties of 2-(6-fluorohexyl)-1-[4-(2-methoxyethoxy)phenyl]-4-[2-(4-methoxyphenoxy)ethoxy]benzene?
2-(6-fluorohexyl)-1-[4-(2-methoxyethoxy)phenyl]-4-[2-(4-methoxyphenoxy)ethoxy]benzene has a molecular weight of 496.62 g/mol, XLogP of 6.92, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluorohexyl)-1-[4-(2-methoxyethoxy)phenyl]-4-[2-(4-methoxyphenoxy)ethoxy]benzene is sourced from PubChem (CID 135247881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).