1-tert-butyl-4-[1-(4-methoxyphenyl)-3-phenylpropyl]benzene

C26H30O — CID 168720165

IUPAC1-tert-butyl-4-[1-(4-methoxyphenyl)-3-phenylpropyl]benzene
SMILESCOc1ccc(C(CCc2ccccc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C26H30O/c1-26(2,3)23-15-11-21(12-16-23)25(19-10-20-8-6-5-7-9-20)22-13-17-24(27-4)18-14-22/h5-9,11-18,25H,10,19H2,1-4H3
InChIKeySDZVWKFKYNRVAS-UHFFFAOYSA-N
MW358.53 g/mol
LogP6.76
Rot. Bonds6

About 1-tert-butyl-4-[1-(4-methoxyphenyl)-3-phenylpropyl]benzene

1-tert-butyl-4-[1-(4-methoxyphenyl)-3-phenylpropyl]benzene (PubChem CID 168720165) has the molecular formula C26H30O and a molecular weight of 358.53 g/mol. Its IUPAC name is 1-tert-butyl-4-[1-(4-methoxyphenyl)-3-phenylpropyl]benzene.

Molecular Properties

Compound Name1-tert-butyl-4-[1-(4-methoxyphenyl)-3-phenylpropyl]benzene
PubChem CID168720165
Molecular FormulaC26H30O
Molecular Weight358.53 g/mol
Exact Mass358.23
IUPAC Name1-tert-butyl-4-[1-(4-methoxyphenyl)-3-phenylpropyl]benzene
SMILESCOc1ccc(C(CCc2ccccc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C26H30O/c1-26(2,3)23-15-11-21(12-16-23)25(19-10-20-8-6-5-7-9-20)22-13-17-24(27-4)18-14-22/h5-9,11-18,25H,10,19H2,1-4H3
InChIKeySDZVWKFKYNRVAS-UHFFFAOYSA-N
XLogP6.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis(4-propan-2-ylphenyl)propan-1-ol;1-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)propan-1-ol;3-(4-tert-butylphenyl)-1-(4-propan-2-ylphenyl)propan-1-ol;1,3-diphenylpropan-1-ol;1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-1-ol;3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-ol;1-phenyl-3-(4-propan-2-ylphenyl)propan-1-ol;3-phenyl-1-(4-propan-2-ylphenyl)propan-1-ol
CID 158011051
1-tert-butyl-4-[(4-methoxyphenyl)-phenylmethyl]benzene
CID 102293623
1-tert-butyl-4-[(1S)-1-(4-methoxyphenyl)propyl]benzene
CID 137362247
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 81368068
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 81367480
N-[1-(4-tert-butylphenyl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]propanamide;ethylbenzene
CID 143822741
1-tert-butyl-4-(2-methylpropyl)benzene;cumene;methane;1-methoxy-4-(2-methylpropyl)benzene;3-methylbutylbenzene;bis(1-methyl-4-(2-methylpropyl)benzene);4-methylpentylbenzene;2-methylpropylbenzene
CID 158507065
N-[3-(4-methoxyphenyl)-3-phenylpropyl]pyridin-2-amine
CID 54373068
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
1-methoxy-4-[2-[1-(4-methoxyphenyl)-4-phenylbutan-2-yl]oxy-4-phenylbutyl]benzene
CID 130301426
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
(2R)-2-(4-tert-butylphenyl)-4-phenylbutanamide
CID 129383585

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[1-(4-methoxyphenyl)-3-phenylpropyl]benzene?
The IUPAC name of 1-tert-butyl-4-[1-(4-methoxyphenyl)-3-phenylpropyl]benzene (CID 168720165) is 1-tert-butyl-4-[1-(4-methoxyphenyl)-3-phenylpropyl]benzene.
What is the SMILES notation for 1-tert-butyl-4-[1-(4-methoxyphenyl)-3-phenylpropyl]benzene?
The canonical SMILES for 1-tert-butyl-4-[1-(4-methoxyphenyl)-3-phenylpropyl]benzene is COc1ccc(C(CCc2ccccc2)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 1-tert-butyl-4-[1-(4-methoxyphenyl)-3-phenylpropyl]benzene?
The InChIKey is SDZVWKFKYNRVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O/c1-26(2,3)23-15-11-21(12-16-23)25(19-10-20-8-6-5-7-9-20)22-13-17-24(27-4)18-14-22/h5-9,11-18,25H,10,19H2,1-4H3.
What are the key properties of 1-tert-butyl-4-[1-(4-methoxyphenyl)-3-phenylpropyl]benzene?
1-tert-butyl-4-[1-(4-methoxyphenyl)-3-phenylpropyl]benzene has a molecular weight of 358.53 g/mol, XLogP of 6.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[1-(4-methoxyphenyl)-3-phenylpropyl]benzene is sourced from PubChem (CID 168720165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).