1-butyl-4-[2-[4-[2-(4-ethoxyphenyl)propan-2-yl]phenyl]propan-2-yl]benzene

C30H38O — CID 170603027

IUPAC1-butyl-4-[2-[4-[2-(4-ethoxyphenyl)propan-2-yl]phenyl]propan-2-yl]benzene
SMILESCCCCc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(OCC)cc3)cc2)cc1
InChIInChI=1S/C30H38O/c1-7-9-10-23-11-13-24(14-12-23)29(3,4)25-15-17-26(18-16-25)30(5,6)27-19-21-28(22-20-27)31-8-2/h11-22H,7-10H2,1-6H3
InChIKeyMUHAGFBYCREQEW-UHFFFAOYSA-N
MW414.63 g/mol
LogP8.08
Rot. Bonds9

About 1-butyl-4-[2-[4-[2-(4-ethoxyphenyl)propan-2-yl]phenyl]propan-2-yl]benzene

1-butyl-4-[2-[4-[2-(4-ethoxyphenyl)propan-2-yl]phenyl]propan-2-yl]benzene (PubChem CID 170603027) has the molecular formula C30H38O and a molecular weight of 414.63 g/mol. Its IUPAC name is 1-butyl-4-[2-[4-[2-(4-ethoxyphenyl)propan-2-yl]phenyl]propan-2-yl]benzene.

Molecular Properties

Compound Name1-butyl-4-[2-[4-[2-(4-ethoxyphenyl)propan-2-yl]phenyl]propan-2-yl]benzene
PubChem CID170603027
Molecular FormulaC30H38O
Molecular Weight414.63 g/mol
Exact Mass414.29
IUPAC Name1-butyl-4-[2-[4-[2-(4-ethoxyphenyl)propan-2-yl]phenyl]propan-2-yl]benzene
SMILESCCCCc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(OCC)cc3)cc2)cc1
InChIInChI=1S/C30H38O/c1-7-9-10-23-11-13-24(14-12-23)29(3,4)25-15-17-26(18-16-25)30(5,6)27-19-21-28(22-20-27)31-8-2/h11-22H,7-10H2,1-6H3
InChIKeyMUHAGFBYCREQEW-UHFFFAOYSA-N
XLogP8.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.63
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-butyl-4-[2-(4-ethoxyphenyl)propan-2-yl]benzene
CID 54365174
1-butyl-4-[2-[4-(4-chlorobutyl)phenyl]propan-2-yl]benzene
CID 134339617
1-methyl-4-[2-[4-[2-(4-nonylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene
CID 159793185
4-[2-(4-pentylphenyl)propan-2-yl]phenol
CID 174631363
1-ethoxy-4-[(E)-2-(4-octylphenyl)ethenyl]benzene
CID 22662535
1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;1-hexyl-4-[2-(4-hexylphenyl)propan-2-yl]benzene;1-methoxy-4-(2-phenylpropan-2-yl)benzene;1-octyl-4-[2-(4-octylphenyl)propan-2-yl]benzene
CID 123210298
1-(4-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874274
4-(4-ethoxyphenyl)butane-1-thiol
CID 94681692
1-butyl-4-(triethoxymethyl)benzene
CID 166447467
[4-[2-[4-(4-hexylbenzoyl)oxyphenyl]propan-2-yl]phenyl] 4-hexylbenzoate
CID 20688225
1-butoxy-4-(3,3-dimethylbutyl)benzene
CID 167030877
1-butyl-4-(4-chlorobutoxy)benzene
CID 115492522

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[2-[4-[2-(4-ethoxyphenyl)propan-2-yl]phenyl]propan-2-yl]benzene?
The IUPAC name of 1-butyl-4-[2-[4-[2-(4-ethoxyphenyl)propan-2-yl]phenyl]propan-2-yl]benzene (CID 170603027) is 1-butyl-4-[2-[4-[2-(4-ethoxyphenyl)propan-2-yl]phenyl]propan-2-yl]benzene.
What is the SMILES notation for 1-butyl-4-[2-[4-[2-(4-ethoxyphenyl)propan-2-yl]phenyl]propan-2-yl]benzene?
The canonical SMILES for 1-butyl-4-[2-[4-[2-(4-ethoxyphenyl)propan-2-yl]phenyl]propan-2-yl]benzene is CCCCc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(OCC)cc3)cc2)cc1.
What is the InChIKey of 1-butyl-4-[2-[4-[2-(4-ethoxyphenyl)propan-2-yl]phenyl]propan-2-yl]benzene?
The InChIKey is MUHAGFBYCREQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38O/c1-7-9-10-23-11-13-24(14-12-23)29(3,4)25-15-17-26(18-16-25)30(5,6)27-19-21-28(22-20-27)31-8-2/h11-22H,7-10H2,1-6H3.
What are the key properties of 1-butyl-4-[2-[4-[2-(4-ethoxyphenyl)propan-2-yl]phenyl]propan-2-yl]benzene?
1-butyl-4-[2-[4-[2-(4-ethoxyphenyl)propan-2-yl]phenyl]propan-2-yl]benzene has a molecular weight of 414.63 g/mol, XLogP of 8.08, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[2-[4-[2-(4-ethoxyphenyl)propan-2-yl]phenyl]propan-2-yl]benzene is sourced from PubChem (CID 170603027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).