1-(2-methoxyethyl)-4-(4-pentylphenyl)benzene

C20H26O — CID 58090333

IUPAC1-(2-methoxyethyl)-4-(4-pentylphenyl)benzene
SMILESCCCCCc1ccc(-c2ccc(CCOC)cc2)cc1
InChIInChI=1S/C20H26O/c1-3-4-5-6-17-7-11-19(12-8-17)20-13-9-18(10-14-20)15-16-21-2/h7-14H,3-6,15-16H2,1-2H3
InChIKeySGNRVOWBRMHYKY-UHFFFAOYSA-N
MW282.43 g/mol
LogP5.28
Rot. Bonds8

About 1-(2-methoxyethyl)-4-(4-pentylphenyl)benzene

1-(2-methoxyethyl)-4-(4-pentylphenyl)benzene (PubChem CID 58090333) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-(4-pentylphenyl)benzene.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-(4-pentylphenyl)benzene
PubChem CID58090333
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name1-(2-methoxyethyl)-4-(4-pentylphenyl)benzene
SMILESCCCCCc1ccc(-c2ccc(CCOC)cc2)cc1
InChIInChI=1S/C20H26O/c1-3-4-5-6-17-7-11-19(12-8-17)20-13-9-18(10-14-20)15-16-21-2/h7-14H,3-6,15-16H2,1-2H3
InChIKeySGNRVOWBRMHYKY-UHFFFAOYSA-N
XLogP5.28
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 ≤ 55.28
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

1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-ethyl-4-[4-(2-methoxyethyl)phenyl]benzene
CID 71122452
1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene
CID 19906985
1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-bis[4-(4-methoxyphenyl)phenyl]benzene
CID 145196769
[4-[4-(2-methoxyethyl)phenyl]phenyl]methanamine
CID 61034030
4-[4-(2-methoxyethyl)phenyl]phenol
CID 174937616
1-pentadecyl-4-phenylbenzene
CID 57166115
3-[4-(4-pentylphenyl)phenyl]propan-1-ol
CID 86125819
1-(chloromethyl)-4-(4-nonylphenyl)benzene
CID 21284608
4-(4-pentylphenyl)-N-[4-(4-pentylphenyl)phenyl]aniline
CID 70991869
4-(4-octadecylphenyl)benzenethiol
CID 134936183
1-pentyl-4-[4-[2-[4-(trifluoromethoxy)phenyl]ethyl]phenyl]benzene
CID 18984117

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-(4-pentylphenyl)benzene?
The IUPAC name of 1-(2-methoxyethyl)-4-(4-pentylphenyl)benzene (CID 58090333) is 1-(2-methoxyethyl)-4-(4-pentylphenyl)benzene.
What is the SMILES notation for 1-(2-methoxyethyl)-4-(4-pentylphenyl)benzene?
The canonical SMILES for 1-(2-methoxyethyl)-4-(4-pentylphenyl)benzene is CCCCCc1ccc(-c2ccc(CCOC)cc2)cc1.
What is the InChIKey of 1-(2-methoxyethyl)-4-(4-pentylphenyl)benzene?
The InChIKey is SGNRVOWBRMHYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O/c1-3-4-5-6-17-7-11-19(12-8-17)20-13-9-18(10-14-20)15-16-21-2/h7-14H,3-6,15-16H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-4-(4-pentylphenyl)benzene?
1-(2-methoxyethyl)-4-(4-pentylphenyl)benzene has a molecular weight of 282.43 g/mol, XLogP of 5.28, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-(4-pentylphenyl)benzene is sourced from PubChem (CID 58090333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).