1,3-ditert-butyl-5-(3-phenylpropyl)benzene

C23H32 — CID 101326636

IUPAC1,3-ditert-butyl-5-(3-phenylpropyl)benzene
SMILESCC(C)(C)c1cc(CCCc2ccccc2)cc(C(C)(C)C)c1
InChIInChI=1S/C23H32/c1-22(2,3)20-15-19(16-21(17-20)23(4,5)6)14-10-13-18-11-8-7-9-12-18/h7-9,11-12,15-17H,10,13-14H2,1-6H3
InChIKeyOBQLNDUVTNWBBZ-UHFFFAOYSA-N
MW308.51 g/mol
LogP6.46
Rot. Bonds4

About 1,3-ditert-butyl-5-(3-phenylpropyl)benzene

1,3-ditert-butyl-5-(3-phenylpropyl)benzene (PubChem CID 101326636) has the molecular formula C23H32 and a molecular weight of 308.51 g/mol. Its IUPAC name is 1,3-ditert-butyl-5-(3-phenylpropyl)benzene.

Molecular Properties

Compound Name1,3-ditert-butyl-5-(3-phenylpropyl)benzene
PubChem CID101326636
Molecular FormulaC23H32
Molecular Weight308.51 g/mol
Exact Mass308.25
IUPAC Name1,3-ditert-butyl-5-(3-phenylpropyl)benzene
SMILESCC(C)(C)c1cc(CCCc2ccccc2)cc(C(C)(C)C)c1
InChIInChI=1S/C23H32/c1-22(2,3)20-15-19(16-21(17-20)23(4,5)6)14-10-13-18-11-8-7-9-12-18/h7-9,11-12,15-17H,10,13-14H2,1-6H3
InChIKeyOBQLNDUVTNWBBZ-UHFFFAOYSA-N
XLogP6.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-bis(3-phenylpropyl)benzene
CID 59467322
CID 159131095
CID 159131095
1,5-dibutyl-3-tert-butylbenzene
CID 140589363
4-phenylbutylbenzene
CID 141301927
3-[3-tert-butyl-5-(3-hydroxypropyl)phenyl]propan-1-ol
CID 71150816
1-tert-butyl-3,5-bis(3-chloropropyl)benzene
CID 89314999
(2-methyl-6-phenylhexan-2-yl)benzene
CID 57113008
dibenzyl-(3-tert-butylphenyl)-(3-phenylpropyl)silane
CID 174063345
methane;4-phenylbutylbenzene
CID 173386802
hafnium;4-phenylbutylbenzene
CID 175889972
1,3-bis(2-phenylethyl)benzene;1,4-bis(2-phenylethyl)benzene;1,3-bis(3-phenylpropyl)benzene;1,4-bis(3-phenylpropyl)benzene
CID 161066607
4-tert-butyl-N-(4-phenylbutyl)aniline
CID 114333099

Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butyl-5-(3-phenylpropyl)benzene?
The IUPAC name of 1,3-ditert-butyl-5-(3-phenylpropyl)benzene (CID 101326636) is 1,3-ditert-butyl-5-(3-phenylpropyl)benzene.
What is the SMILES notation for 1,3-ditert-butyl-5-(3-phenylpropyl)benzene?
The canonical SMILES for 1,3-ditert-butyl-5-(3-phenylpropyl)benzene is CC(C)(C)c1cc(CCCc2ccccc2)cc(C(C)(C)C)c1.
What is the InChIKey of 1,3-ditert-butyl-5-(3-phenylpropyl)benzene?
The InChIKey is OBQLNDUVTNWBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32/c1-22(2,3)20-15-19(16-21(17-20)23(4,5)6)14-10-13-18-11-8-7-9-12-18/h7-9,11-12,15-17H,10,13-14H2,1-6H3.
What are the key properties of 1,3-ditert-butyl-5-(3-phenylpropyl)benzene?
1,3-ditert-butyl-5-(3-phenylpropyl)benzene has a molecular weight of 308.51 g/mol, XLogP of 6.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butyl-5-(3-phenylpropyl)benzene is sourced from PubChem (CID 101326636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).