1-ethyl-4-[(4-pentylphenyl)methoxy]benzene

C20H26O — CID 142992218

IUPAC1-ethyl-4-[(4-pentylphenyl)methoxy]benzene
SMILESCCCCCc1ccc(COc2ccc(CC)cc2)cc1
InChIInChI=1S/C20H26O/c1-3-5-6-7-18-8-10-19(11-9-18)16-21-20-14-12-17(4-2)13-15-20/h8-15H,3-7,16H2,1-2H3
InChIKeyUZAWWGCVXGLROQ-UHFFFAOYSA-N
MW282.43 g/mol
LogP5.56
Rot. Bonds8

About 1-ethyl-4-[(4-pentylphenyl)methoxy]benzene

1-ethyl-4-[(4-pentylphenyl)methoxy]benzene (PubChem CID 142992218) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-ethyl-4-[(4-pentylphenyl)methoxy]benzene.

Molecular Properties

Compound Name1-ethyl-4-[(4-pentylphenyl)methoxy]benzene
PubChem CID142992218
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name1-ethyl-4-[(4-pentylphenyl)methoxy]benzene
SMILESCCCCCc1ccc(COc2ccc(CC)cc2)cc1
InChIInChI=1S/C20H26O/c1-3-5-6-7-18-8-10-19(11-9-18)16-21-20-14-12-17(4-2)13-15-20/h8-15H,3-7,16H2,1-2H3
InChIKeyUZAWWGCVXGLROQ-UHFFFAOYSA-N
XLogP5.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.56
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

5-decyl-2-[4-[(4-ethylphenyl)methoxy]phenyl]pyrimidine
CID 21288703
pentafluoro-[4-[(4-pentylphenyl)methoxy]phenyl]-λ6-sulfane
CID 54227321
1-[4-[(4-pentylphenyl)methoxy]phenyl]ethanol
CID 139765630
4-[(4-butylphenoxy)methyl]aniline
CID 115492301
1-ethyl-4-octacosylbenzene
CID 175218304
2-[4-[(4-ethylphenyl)methoxy]phenyl]ethanol
CID 103844538
1-hexoxy-4-pentylbenzene
CID 54277450
4-[(4-hexylphenyl)methoxy]-1,2-dimethylbenzene
CID 59265322
1-fluoro-3-[(4-hexylphenoxy)methyl]benzene
CID 123640981
5-hexyl-2-[4-[(4-pentylphenyl)methoxy]phenyl]pyrimidine
CID 14047581
1-heptyl-4-[[4-[(E)-pent-1-enyl]phenoxy]methyl]benzene
CID 22991613
5-nonyl-2-[4-[(4-propylphenyl)methoxy]phenyl]pyrimidine
CID 15918494

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(4-pentylphenyl)methoxy]benzene?
The IUPAC name of 1-ethyl-4-[(4-pentylphenyl)methoxy]benzene (CID 142992218) is 1-ethyl-4-[(4-pentylphenyl)methoxy]benzene.
What is the SMILES notation for 1-ethyl-4-[(4-pentylphenyl)methoxy]benzene?
The canonical SMILES for 1-ethyl-4-[(4-pentylphenyl)methoxy]benzene is CCCCCc1ccc(COc2ccc(CC)cc2)cc1.
What is the InChIKey of 1-ethyl-4-[(4-pentylphenyl)methoxy]benzene?
The InChIKey is UZAWWGCVXGLROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O/c1-3-5-6-7-18-8-10-19(11-9-18)16-21-20-14-12-17(4-2)13-15-20/h8-15H,3-7,16H2,1-2H3.
What are the key properties of 1-ethyl-4-[(4-pentylphenyl)methoxy]benzene?
1-ethyl-4-[(4-pentylphenyl)methoxy]benzene has a molecular weight of 282.43 g/mol, XLogP of 5.56, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(4-pentylphenyl)methoxy]benzene is sourced from PubChem (CID 142992218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).