(2,3,4,5-tetramethyl-4-phenylhexan-3-yl)benzene

C22H30 — CID 13047702

IUPAC(2,3,4,5-tetramethyl-4-phenylhexan-3-yl)benzene
SMILESCC(C)C(C)(c1ccccc1)C(C)(c1ccccc1)C(C)C
InChIInChI=1S/C22H30/c1-17(2)21(5,19-13-9-7-10-14-19)22(6,18(3)4)20-15-11-8-12-16-20/h7-18H,1-6H3
InChIKeyMXPFGLQFUKPBEZ-UHFFFAOYSA-N
MW294.48 g/mol
LogP6.21
Rot. Bonds5

About (2,3,4,5-tetramethyl-4-phenylhexan-3-yl)benzene

(2,3,4,5-tetramethyl-4-phenylhexan-3-yl)benzene (PubChem CID 13047702) has the molecular formula C22H30 and a molecular weight of 294.48 g/mol. Its IUPAC name is (2,3,4,5-tetramethyl-4-phenylhexan-3-yl)benzene.

Molecular Properties

Compound Name(2,3,4,5-tetramethyl-4-phenylhexan-3-yl)benzene
PubChem CID13047702
Molecular FormulaC22H30
Molecular Weight294.48 g/mol
Exact Mass294.23
IUPAC Name(2,3,4,5-tetramethyl-4-phenylhexan-3-yl)benzene
SMILESCC(C)C(C)(c1ccccc1)C(C)(c1ccccc1)C(C)C
InChIInChI=1S/C22H30/c1-17(2)21(5,19-13-9-7-10-14-19)22(6,18(3)4)20-15-11-8-12-16-20/h7-18H,1-6H3
InChIKeyMXPFGLQFUKPBEZ-UHFFFAOYSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (2,3,4,5-tetramethyl-4-phenylhexan-3-yl)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

3-methoxy-2-methyl-2-phenylbutane-1,1,1-triol
CID 175119768
2-phenylpropan-2-ylbenzene
CID 13065
CID 171375456
CID 171375456
4-(2,3,4,4-tetramethyl-5-phenylhexan-3-yl)pyridine
CID 134181668
2,3,5-trimethylhexan-3-ylbenzene
CID 123149580
(3-fluoro-2-methylbutan-2-yl)benzene
CID 69013653
2-(2,3-dimethylbutan-2-ylperoxy)propan-2-ylbenzene
CID 71441209
2,3-dimethylbutan-2-ylbenzene;ethane;2-methylbutane
CID 142581096
1-fluoro-4-[(2R)-3-methyl-2-phenylbutan-2-yl]benzene
CID 143112976
tert-butylbenzene;chloromethane;ethane
CID 91149652
tert-butylbenzene;molecular nitrogen
CID 146464751
benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 158670454

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5-tetramethyl-4-phenylhexan-3-yl)benzene?
The IUPAC name of (2,3,4,5-tetramethyl-4-phenylhexan-3-yl)benzene (CID 13047702) is (2,3,4,5-tetramethyl-4-phenylhexan-3-yl)benzene.
What is the SMILES notation for (2,3,4,5-tetramethyl-4-phenylhexan-3-yl)benzene?
The canonical SMILES for (2,3,4,5-tetramethyl-4-phenylhexan-3-yl)benzene is CC(C)C(C)(c1ccccc1)C(C)(c1ccccc1)C(C)C.
What is the InChIKey of (2,3,4,5-tetramethyl-4-phenylhexan-3-yl)benzene?
The InChIKey is MXPFGLQFUKPBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30/c1-17(2)21(5,19-13-9-7-10-14-19)22(6,18(3)4)20-15-11-8-12-16-20/h7-18H,1-6H3.
What are the key properties of (2,3,4,5-tetramethyl-4-phenylhexan-3-yl)benzene?
(2,3,4,5-tetramethyl-4-phenylhexan-3-yl)benzene has a molecular weight of 294.48 g/mol, XLogP of 6.21, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5-tetramethyl-4-phenylhexan-3-yl)benzene is sourced from PubChem (CID 13047702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).