1-tert-butyl-4-[(1S)-1-(4-methoxyphenyl)propyl]benzene

C20H26O — CID 137362247

IUPAC1-tert-butyl-4-[(1S)-1-(4-methoxyphenyl)propyl]benzene
SMILESCC[C@H](c1ccc(OC)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H26O/c1-6-19(16-9-13-18(21-5)14-10-16)15-7-11-17(12-8-15)20(2,3)4/h7-14,19H,6H2,1-5H3/t19-/m0/s1
InChIKeyIIEPYCNKJQTVFZ-IBGZPJMESA-N
MW282.43 g/mol
LogP5.53
Rot. Bonds4

About 1-tert-butyl-4-[(1S)-1-(4-methoxyphenyl)propyl]benzene

1-tert-butyl-4-[(1S)-1-(4-methoxyphenyl)propyl]benzene (PubChem CID 137362247) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-tert-butyl-4-[(1S)-1-(4-methoxyphenyl)propyl]benzene.

Molecular Properties

Compound Name1-tert-butyl-4-[(1S)-1-(4-methoxyphenyl)propyl]benzene
PubChem CID137362247
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name1-tert-butyl-4-[(1S)-1-(4-methoxyphenyl)propyl]benzene
SMILESCC[C@H](c1ccc(OC)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H26O/c1-6-19(16-9-13-18(21-5)14-10-16)15-7-11-17(12-8-15)20(2,3)4/h7-14,19H,6H2,1-5H3/t19-/m0/s1
InChIKeyIIEPYCNKJQTVFZ-IBGZPJMESA-N
XLogP5.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-tert-butyl-4-[(1S)-1-(4-methoxyphenyl)propyl]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-tert-butyl-4-[(4-methoxyphenyl)-phenylmethyl]benzene
CID 102293623
1-tert-butyl-4-[1-(4-methoxyphenyl)-3-phenylpropyl]benzene
CID 168720165
1-(iodomethoxy)-4-[1-(4-methoxyphenyl)propyl]benzene
CID 89323289
N-[1-(4-tert-butylphenyl)ethyl]-4-methoxyaniline
CID 10379104
[(4-tert-butylphenyl)-(4-methoxyphenyl)methyl]hydrazine
CID 105190992
[(1R)-1-(4-methoxyphenyl)propyl]azanium
CID 2496559
1-(1-chloro-2,2-dimethylbutyl)-4-methoxybenzene
CID 63428940
tris[1,1,2-tris(4-methoxyphenyl)butyl] borate
CID 87849881
2-[1-(4-tert-butylphenyl)propyl]phenol
CID 174617278
1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)ethyl]benzene
CID 100982680
(3R)-3-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 1271474
1-methoxy-4-(3-methylpentan-2-yl)benzene
CID 138976766

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(1S)-1-(4-methoxyphenyl)propyl]benzene?
The IUPAC name of 1-tert-butyl-4-[(1S)-1-(4-methoxyphenyl)propyl]benzene (CID 137362247) is 1-tert-butyl-4-[(1S)-1-(4-methoxyphenyl)propyl]benzene.
What is the SMILES notation for 1-tert-butyl-4-[(1S)-1-(4-methoxyphenyl)propyl]benzene?
The canonical SMILES for 1-tert-butyl-4-[(1S)-1-(4-methoxyphenyl)propyl]benzene is CC[C@H](c1ccc(OC)cc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-[(1S)-1-(4-methoxyphenyl)propyl]benzene?
The InChIKey is IIEPYCNKJQTVFZ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H26O/c1-6-19(16-9-13-18(21-5)14-10-16)15-7-11-17(12-8-15)20(2,3)4/h7-14,19H,6H2,1-5H3/t19-/m0/s1.
What are the key properties of 1-tert-butyl-4-[(1S)-1-(4-methoxyphenyl)propyl]benzene?
1-tert-butyl-4-[(1S)-1-(4-methoxyphenyl)propyl]benzene has a molecular weight of 282.43 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[(1S)-1-(4-methoxyphenyl)propyl]benzene is sourced from PubChem (CID 137362247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).