1,4-bis[(4-butylphenyl)methyl]benzene;ethane

C34H52 — CID 91530011

IUPAC1,4-bis[(4-butylphenyl)methyl]benzene;ethane
SMILESCC.CC.CC.CCCCc1ccc(Cc2ccc(Cc3ccc(CCCC)cc3)cc2)cc1
InChIInChI=1S/C28H34.3C2H6/c1-3-5-7-23-9-13-25(14-10-23)21-27-17-19-28(20-18-27)22-26-15-11-24(12-16-26)8-6-4-2;3*1-2/h9-20H,3-8,21-22H2,1-2H3;3*1-2H3
InChIKeyLVRABFFHPAUCOI-UHFFFAOYSA-N
MW460.79 g/mol
LogP10.63
Rot. Bonds10

About 1,4-bis[(4-butylphenyl)methyl]benzene;ethane

1,4-bis[(4-butylphenyl)methyl]benzene;ethane (PubChem CID 91530011) has the molecular formula C34H52 and a molecular weight of 460.79 g/mol. Its IUPAC name is 1,4-bis[(4-butylphenyl)methyl]benzene;ethane.

Molecular Properties

Compound Name1,4-bis[(4-butylphenyl)methyl]benzene;ethane
PubChem CID91530011
Molecular FormulaC34H52
Molecular Weight460.79 g/mol
Exact Mass460.41
IUPAC Name1,4-bis[(4-butylphenyl)methyl]benzene;ethane
SMILESCC.CC.CC.CCCCc1ccc(Cc2ccc(Cc3ccc(CCCC)cc3)cc2)cc1
InChIInChI=1S/C28H34.3C2H6/c1-3-5-7-23-9-13-25(14-10-23)21-27-17-19-28(20-18-27)22-26-15-11-24(12-16-26)8-6-4-2;3*1-2/h9-20H,3-8,21-22H2,1-2H3;3*1-2H3
InChIKeyLVRABFFHPAUCOI-UHFFFAOYSA-N
XLogP10.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.79
LogP ≤ 510.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,4-bis[(4-butylphenyl)methyl]benzene;ethane 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

1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495
1-butyl-4-[(4-butylphenyl)methyl]benzene
CID 57156341
1-butyl-4-nonylbenzene
CID 59545302
1-propyl-4-[(4-propylphenyl)methyl]benzene
CID 4064340
1-butyl-4-methylbenzene;N-methylmethanamine
CID 143818952
1-butyl-4-(4-ethylphenyl)benzene;ethane
CID 145367281
4-[(4-octadecylphenyl)methyl]aniline
CID 67687267
1-butyl-4-phenylbenzene;ethane
CID 143743409
1,3-bis[(4-dodecylphenyl)methyl]benzene
CID 58298682
1-butyl-4-[(4-butylphenyl)methoxymethyl]benzene
CID 21471119
4-butylphenol;tungsten
CID 174758928
CID 57493424
CID 57493424

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(4-butylphenyl)methyl]benzene;ethane?
The IUPAC name of 1,4-bis[(4-butylphenyl)methyl]benzene;ethane (CID 91530011) is 1,4-bis[(4-butylphenyl)methyl]benzene;ethane.
What is the SMILES notation for 1,4-bis[(4-butylphenyl)methyl]benzene;ethane?
The canonical SMILES for 1,4-bis[(4-butylphenyl)methyl]benzene;ethane is CC.CC.CC.CCCCc1ccc(Cc2ccc(Cc3ccc(CCCC)cc3)cc2)cc1.
What is the InChIKey of 1,4-bis[(4-butylphenyl)methyl]benzene;ethane?
The InChIKey is LVRABFFHPAUCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34.3C2H6/c1-3-5-7-23-9-13-25(14-10-23)21-27-17-19-28(20-18-27)22-26-15-11-24(12-16-26)8-6-4-2;3*1-2/h9-20H,3-8,21-22H2,1-2H3;3*1-2H3.
What are the key properties of 1,4-bis[(4-butylphenyl)methyl]benzene;ethane?
1,4-bis[(4-butylphenyl)methyl]benzene;ethane has a molecular weight of 460.79 g/mol, XLogP of 10.63, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(4-butylphenyl)methyl]benzene;ethane is sourced from PubChem (CID 91530011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).