1-tert-butyl-3-[(4-phenylphenyl)methoxy]benzene

C23H24O — CID 59734480

IUPAC1-tert-butyl-3-[(4-phenylphenyl)methoxy]benzene
SMILESCC(C)(C)c1cccc(OCc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C23H24O/c1-23(2,3)21-10-7-11-22(16-21)24-17-18-12-14-20(15-13-18)19-8-5-4-6-9-19/h4-16H,17H2,1-3H3
InChIKeyODZGKJXUWBGUEW-UHFFFAOYSA-N
MW316.44 g/mol
LogP6.23
Rot. Bonds4

About 1-tert-butyl-3-[(4-phenylphenyl)methoxy]benzene

1-tert-butyl-3-[(4-phenylphenyl)methoxy]benzene (PubChem CID 59734480) has the molecular formula C23H24O and a molecular weight of 316.44 g/mol. Its IUPAC name is 1-tert-butyl-3-[(4-phenylphenyl)methoxy]benzene.

Molecular Properties

Compound Name1-tert-butyl-3-[(4-phenylphenyl)methoxy]benzene
PubChem CID59734480
Molecular FormulaC23H24O
Molecular Weight316.44 g/mol
Exact Mass316.18
IUPAC Name1-tert-butyl-3-[(4-phenylphenyl)methoxy]benzene
SMILESCC(C)(C)c1cccc(OCc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C23H24O/c1-23(2,3)21-10-7-11-22(16-21)24-17-18-12-14-20(15-13-18)19-8-5-4-6-9-19/h4-16H,17H2,1-3H3
InChIKeyODZGKJXUWBGUEW-UHFFFAOYSA-N
XLogP6.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.44
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-tert-butyl-3-[(4-phenylphenyl)methoxy]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

2-(3-phenylmethoxyphenyl)propan-2-ol
CID 13368032
5-[(3-tert-butylphenoxy)methyl]-2-chloropyridine
CID 43351812
1-(2-methyl-1-prop-2-enoxypropan-2-yl)-3-phenylmethoxybenzene
CID 59204436
(2R)-2-amino-2-(3-phenylmethoxyphenyl)propanoic acid
CID 7345316
[2-[(3-tert-butylphenoxy)methyl]phenyl]methanamine
CID 43169662
2-tert-butyl-7-phenylmethoxynaphthalene
CID 146249475
3-[(3-tert-butylphenoxy)methyl]benzonitrile
CID 43238316
1-(2-methylnonan-2-yl)-3-phenylmethoxybenzene
CID 141065806
1-[2-(3-methylbutoxy)propan-2-yl]-3-phenylmethoxybenzene
CID 171082478
(4S)-5-amino-4-[[4-[4-[(3-tert-butylphenoxy)methyl]phenyl]benzoyl]-(2-methyl-1-phenylpropan-2-yl)amino]-5-oxopentanoic acid
CID 67333902
2-methyl-6-[[3-[(4-phenylphenyl)methoxy]phenoxy]methyl]benzoic acid
CID 22241403
1-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 90934735

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[(4-phenylphenyl)methoxy]benzene?
The IUPAC name of 1-tert-butyl-3-[(4-phenylphenyl)methoxy]benzene (CID 59734480) is 1-tert-butyl-3-[(4-phenylphenyl)methoxy]benzene.
What is the SMILES notation for 1-tert-butyl-3-[(4-phenylphenyl)methoxy]benzene?
The canonical SMILES for 1-tert-butyl-3-[(4-phenylphenyl)methoxy]benzene is CC(C)(C)c1cccc(OCc2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 1-tert-butyl-3-[(4-phenylphenyl)methoxy]benzene?
The InChIKey is ODZGKJXUWBGUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O/c1-23(2,3)21-10-7-11-22(16-21)24-17-18-12-14-20(15-13-18)19-8-5-4-6-9-19/h4-16H,17H2,1-3H3.
What are the key properties of 1-tert-butyl-3-[(4-phenylphenyl)methoxy]benzene?
1-tert-butyl-3-[(4-phenylphenyl)methoxy]benzene has a molecular weight of 316.44 g/mol, XLogP of 6.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[(4-phenylphenyl)methoxy]benzene is sourced from PubChem (CID 59734480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).