1-(1-hexoxyethyl)-4-[2-(4-methoxyphenyl)phenyl]benzene

C27H32O2 — CID 139694055

IUPAC1-(1-hexoxyethyl)-4-[2-(4-methoxyphenyl)phenyl]benzene
SMILESCCCCCCOC(C)c1ccc(-c2ccccc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H32O2/c1-4-5-6-9-20-29-21(2)22-12-14-23(15-13-22)26-10-7-8-11-27(26)24-16-18-25(28-3)19-17-24/h7-8,10-19,21H,4-6,9,20H2,1-3H3
InChIKeyNUTJVHYIJCRMDB-UHFFFAOYSA-N
MW388.55 g/mol
LogP7.69
Rot. Bonds10

About 1-(1-hexoxyethyl)-4-[2-(4-methoxyphenyl)phenyl]benzene

1-(1-hexoxyethyl)-4-[2-(4-methoxyphenyl)phenyl]benzene (PubChem CID 139694055) has the molecular formula C27H32O2 and a molecular weight of 388.55 g/mol. Its IUPAC name is 1-(1-hexoxyethyl)-4-[2-(4-methoxyphenyl)phenyl]benzene.

Molecular Properties

Compound Name1-(1-hexoxyethyl)-4-[2-(4-methoxyphenyl)phenyl]benzene
PubChem CID139694055
Molecular FormulaC27H32O2
Molecular Weight388.55 g/mol
Exact Mass388.24
IUPAC Name1-(1-hexoxyethyl)-4-[2-(4-methoxyphenyl)phenyl]benzene
SMILESCCCCCCOC(C)c1ccc(-c2ccccc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H32O2/c1-4-5-6-9-20-29-21(2)22-12-14-23(15-13-22)26-10-7-8-11-27(26)24-16-18-25(28-3)19-17-24/h7-8,10-19,21H,4-6,9,20H2,1-3H3
InChIKeyNUTJVHYIJCRMDB-UHFFFAOYSA-N
XLogP7.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.55
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[2-[4-(1-octoxyethyl)phenyl]phenyl]benzene
CID 139693544
1-(1-butoxyethyl)-4-[2-(4-pentadecoxyphenyl)phenyl]benzene
CID 139693758
1-(1-heptoxyethyl)-4-[2-(4-pentadecoxyphenyl)phenyl]benzene
CID 139694170
1-tridecoxy-4-[2-[4-(1-tridecoxyethyl)phenyl]phenyl]benzene
CID 139694206
1-decoxy-4-[2-[4-(1-heptoxyethyl)phenyl]phenyl]benzene
CID 139694138
1-butoxy-4-[2-[4-(1-tridecoxyethyl)phenyl]phenyl]benzene
CID 139693630
1-phenyl-2-[4-(1-undecoxyethyl)phenyl]benzene
CID 139693626
1-ethoxy-4-[2-[4-(1-pentadecoxyethyl)phenyl]phenyl]benzene
CID 139693962
1-butoxy-4-[2-[4-(1-butoxyethyl)phenyl]phenyl]benzene
CID 139693754
1-[(1S)-1-butoxyethyl]-4-methoxybenzene
CID 102525034
1-heptoxy-4-[2-[4-(1-methoxyethyl)phenyl]phenyl]benzene
CID 139693518
1-(1-hexoxyethyl)-4-phenylbenzene
CID 57158562

Frequently Asked Questions

What is the IUPAC name of 1-(1-hexoxyethyl)-4-[2-(4-methoxyphenyl)phenyl]benzene?
The IUPAC name of 1-(1-hexoxyethyl)-4-[2-(4-methoxyphenyl)phenyl]benzene (CID 139694055) is 1-(1-hexoxyethyl)-4-[2-(4-methoxyphenyl)phenyl]benzene.
What is the SMILES notation for 1-(1-hexoxyethyl)-4-[2-(4-methoxyphenyl)phenyl]benzene?
The canonical SMILES for 1-(1-hexoxyethyl)-4-[2-(4-methoxyphenyl)phenyl]benzene is CCCCCCOC(C)c1ccc(-c2ccccc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-(1-hexoxyethyl)-4-[2-(4-methoxyphenyl)phenyl]benzene?
The InChIKey is NUTJVHYIJCRMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32O2/c1-4-5-6-9-20-29-21(2)22-12-14-23(15-13-22)26-10-7-8-11-27(26)24-16-18-25(28-3)19-17-24/h7-8,10-19,21H,4-6,9,20H2,1-3H3.
What are the key properties of 1-(1-hexoxyethyl)-4-[2-(4-methoxyphenyl)phenyl]benzene?
1-(1-hexoxyethyl)-4-[2-(4-methoxyphenyl)phenyl]benzene has a molecular weight of 388.55 g/mol, XLogP of 7.69, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hexoxyethyl)-4-[2-(4-methoxyphenyl)phenyl]benzene is sourced from PubChem (CID 139694055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).