1-propoxy-4-[4-(1-propoxyethyl)phenyl]benzene

C20H26O2 — CID 139694252

IUPAC1-propoxy-4-[4-(1-propoxyethyl)phenyl]benzene
SMILESCCCOc1ccc(-c2ccc(C(C)OCCC)cc2)cc1
InChIInChI=1S/C20H26O2/c1-4-14-21-16(3)17-6-8-18(9-7-17)19-10-12-20(13-11-19)22-15-5-2/h6-13,16H,4-5,14-15H2,1-3H3
InChIKeyLBPXCEWQMFBDLI-UHFFFAOYSA-N
MW298.43 g/mol
LogP5.63
Rot. Bonds8

About 1-propoxy-4-[4-(1-propoxyethyl)phenyl]benzene

1-propoxy-4-[4-(1-propoxyethyl)phenyl]benzene (PubChem CID 139694252) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-propoxy-4-[4-(1-propoxyethyl)phenyl]benzene.

Molecular Properties

Compound Name1-propoxy-4-[4-(1-propoxyethyl)phenyl]benzene
PubChem CID139694252
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name1-propoxy-4-[4-(1-propoxyethyl)phenyl]benzene
SMILESCCCOc1ccc(-c2ccc(C(C)OCCC)cc2)cc1
InChIInChI=1S/C20H26O2/c1-4-14-21-16(3)17-6-8-18(9-7-17)19-10-12-20(13-11-19)22-15-5-2/h6-13,16H,4-5,14-15H2,1-3H3
InChIKeyLBPXCEWQMFBDLI-UHFFFAOYSA-N
XLogP5.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-propoxy-4-[4-(1-propoxyethyl)phenyl]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-nonoxyethyl)-4-(4-propoxyphenyl)benzene
CID 139693595
1-(1-decoxyethyl)-4-(4-propoxyphenyl)benzene
CID 139693864
1-(1-pentoxyethyl)-4-(4-tridecoxyphenyl)benzene
CID 139693623
1-butoxy-4-[4-(1-tetradecoxyethyl)phenyl]benzene
CID 139693996
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-nonoxy-4-[4-(1-nonoxyethyl)phenyl]benzene
CID 139693545
1-(1-decoxyethyl)-4-(4-tetradecoxyphenyl)benzene
CID 139694062
1-(1-butoxyethyl)-4-(4-heptoxyphenyl)benzene
CID 139693505
1-heptoxy-4-[4-(1-tridecoxyethyl)phenyl]benzene
CID 139694064

Frequently Asked Questions

What is the IUPAC name of 1-propoxy-4-[4-(1-propoxyethyl)phenyl]benzene?
The IUPAC name of 1-propoxy-4-[4-(1-propoxyethyl)phenyl]benzene (CID 139694252) is 1-propoxy-4-[4-(1-propoxyethyl)phenyl]benzene.
What is the SMILES notation for 1-propoxy-4-[4-(1-propoxyethyl)phenyl]benzene?
The canonical SMILES for 1-propoxy-4-[4-(1-propoxyethyl)phenyl]benzene is CCCOc1ccc(-c2ccc(C(C)OCCC)cc2)cc1.
What is the InChIKey of 1-propoxy-4-[4-(1-propoxyethyl)phenyl]benzene?
The InChIKey is LBPXCEWQMFBDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-4-14-21-16(3)17-6-8-18(9-7-17)19-10-12-20(13-11-19)22-15-5-2/h6-13,16H,4-5,14-15H2,1-3H3.
What are the key properties of 1-propoxy-4-[4-(1-propoxyethyl)phenyl]benzene?
1-propoxy-4-[4-(1-propoxyethyl)phenyl]benzene has a molecular weight of 298.43 g/mol, XLogP of 5.63, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propoxy-4-[4-(1-propoxyethyl)phenyl]benzene is sourced from PubChem (CID 139694252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).