1-(1-nonoxyethyl)-4-(4-propoxyphenyl)benzene

C26H38O2 — CID 139693595

IUPAC1-(1-nonoxyethyl)-4-(4-propoxyphenyl)benzene
SMILESCCCCCCCCCOC(C)c1ccc(-c2ccc(OCCC)cc2)cc1
InChIInChI=1S/C26H38O2/c1-4-6-7-8-9-10-11-21-27-22(3)23-12-14-24(15-13-23)25-16-18-26(19-17-25)28-20-5-2/h12-19,22H,4-11,20-21H2,1-3H3
InChIKeyILMIAGYNFWNTFR-UHFFFAOYSA-N
MW382.59 g/mol
LogP7.97
Rot. Bonds14

About 1-(1-nonoxyethyl)-4-(4-propoxyphenyl)benzene

1-(1-nonoxyethyl)-4-(4-propoxyphenyl)benzene (PubChem CID 139693595) has the molecular formula C26H38O2 and a molecular weight of 382.59 g/mol. Its IUPAC name is 1-(1-nonoxyethyl)-4-(4-propoxyphenyl)benzene.

Molecular Properties

Compound Name1-(1-nonoxyethyl)-4-(4-propoxyphenyl)benzene
PubChem CID139693595
Molecular FormulaC26H38O2
Molecular Weight382.59 g/mol
Exact Mass382.29
IUPAC Name1-(1-nonoxyethyl)-4-(4-propoxyphenyl)benzene
SMILESCCCCCCCCCOC(C)c1ccc(-c2ccc(OCCC)cc2)cc1
InChIInChI=1S/C26H38O2/c1-4-6-7-8-9-10-11-21-27-22(3)23-12-14-24(15-13-23)25-16-18-26(19-17-25)28-20-5-2/h12-19,22H,4-11,20-21H2,1-3H3
InChIKeyILMIAGYNFWNTFR-UHFFFAOYSA-N
XLogP7.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1-nonoxyethyl)-4-(4-propoxyphenyl)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

1-(1-decoxyethyl)-4-(4-propoxyphenyl)benzene
CID 139693864
1-(1-pentoxyethyl)-4-(4-tridecoxyphenyl)benzene
CID 139693623
1-nonoxy-4-[4-(1-nonoxyethyl)phenyl]benzene
CID 139693545
1-decoxy-4-[4-(1-hexoxyethyl)phenyl]benzene
CID 139693575
1-(1-dodecoxyethyl)-4-(4-undecoxyphenyl)benzene
CID 139693522
1-dodecoxy-4-[4-(1-dodecoxyethyl)phenyl]benzene
CID 139694022
1-(1-pentoxyethyl)-4-(4-tetradecoxyphenyl)benzene
CID 139693934
1-(1-decoxyethyl)-4-(4-tetradecoxyphenyl)benzene
CID 139694062
1-butoxy-4-[4-(1-tetradecoxyethyl)phenyl]benzene
CID 139693996
1-(1-butoxyethyl)-4-(4-heptoxyphenyl)benzene
CID 139693505
1-heptoxy-4-[4-(1-tridecoxyethyl)phenyl]benzene
CID 139694064
1-(1-decoxyethyl)-4-(4-hexoxyphenyl)benzene
CID 139693548

Frequently Asked Questions

What is the IUPAC name of 1-(1-nonoxyethyl)-4-(4-propoxyphenyl)benzene?
The IUPAC name of 1-(1-nonoxyethyl)-4-(4-propoxyphenyl)benzene (CID 139693595) is 1-(1-nonoxyethyl)-4-(4-propoxyphenyl)benzene.
What is the SMILES notation for 1-(1-nonoxyethyl)-4-(4-propoxyphenyl)benzene?
The canonical SMILES for 1-(1-nonoxyethyl)-4-(4-propoxyphenyl)benzene is CCCCCCCCCOC(C)c1ccc(-c2ccc(OCCC)cc2)cc1.
What is the InChIKey of 1-(1-nonoxyethyl)-4-(4-propoxyphenyl)benzene?
The InChIKey is ILMIAGYNFWNTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O2/c1-4-6-7-8-9-10-11-21-27-22(3)23-12-14-24(15-13-23)25-16-18-26(19-17-25)28-20-5-2/h12-19,22H,4-11,20-21H2,1-3H3.
What are the key properties of 1-(1-nonoxyethyl)-4-(4-propoxyphenyl)benzene?
1-(1-nonoxyethyl)-4-(4-propoxyphenyl)benzene has a molecular weight of 382.59 g/mol, XLogP of 7.97, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-nonoxyethyl)-4-(4-propoxyphenyl)benzene is sourced from PubChem (CID 139693595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).