(3-methoxy-2,5,6-trimethyl-6-phenylheptan-2-yl)benzene

C23H32O — CID 175269068

IUPAC(3-methoxy-2,5,6-trimethyl-6-phenylheptan-2-yl)benzene
SMILESCOC(CC(C)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1
InChIInChI=1S/C23H32O/c1-18(22(2,3)19-13-9-7-10-14-19)17-21(24-6)23(4,5)20-15-11-8-12-16-20/h7-16,18,21H,17H2,1-6H3
InChIKeyRTRRVEAJLFUQDE-UHFFFAOYSA-N
MW324.51 g/mol
LogP5.98
Rot. Bonds7

About (3-methoxy-2,5,6-trimethyl-6-phenylheptan-2-yl)benzene

(3-methoxy-2,5,6-trimethyl-6-phenylheptan-2-yl)benzene (PubChem CID 175269068) has the molecular formula C23H32O and a molecular weight of 324.51 g/mol. Its IUPAC name is (3-methoxy-2,5,6-trimethyl-6-phenylheptan-2-yl)benzene.

Molecular Properties

Compound Name(3-methoxy-2,5,6-trimethyl-6-phenylheptan-2-yl)benzene
PubChem CID175269068
Molecular FormulaC23H32O
Molecular Weight324.51 g/mol
Exact Mass324.25
IUPAC Name(3-methoxy-2,5,6-trimethyl-6-phenylheptan-2-yl)benzene
SMILESCOC(CC(C)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1
InChIInChI=1S/C23H32O/c1-18(22(2,3)19-13-9-7-10-14-19)17-21(24-6)23(4,5)20-15-11-8-12-16-20/h7-16,18,21H,17H2,1-6H3
InChIKeyRTRRVEAJLFUQDE-UHFFFAOYSA-N
XLogP5.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.51
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,6-trimethylheptan-2-ylbenzene
CID 20588991
(2-bromo-1,1-dimethoxypropan-2-yl)benzene
CID 15889455
(3-fluoro-2-methylbutan-2-yl)benzene
CID 69013653
3-methoxy-2-methyl-2-phenylpentanoic acid
CID 175507222
(4-iodo-4,4-dimethoxy-2,3-dimethylbutan-2-yl)benzene
CID 174222430
[(3S)-2-methyl-2-phenylpentan-3-yl] (2S)-2-methylsulfonylpropanoate
CID 97025203
(1,4-dimethoxy-2,3-dimethyl-3-phenylbutan-2-yl)benzene
CID 131848966
3-methyl-3-phenylbutan-2-amine;hydrochloride
CID 24841347
2,3-dimethylbutan-2-ylbenzene;ethane;2-methylbutane
CID 142581096
N,2,4-trimethyl-2-phenylhexan-3-amine
CID 79446708
2,4-dimethyl-2-phenyl(313C)pentan-3-ol
CID 12036606
trimethyl-(3-methyl-3-phenylbutan-2-yl)silane
CID 91220136

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-2,5,6-trimethyl-6-phenylheptan-2-yl)benzene?
The IUPAC name of (3-methoxy-2,5,6-trimethyl-6-phenylheptan-2-yl)benzene (CID 175269068) is (3-methoxy-2,5,6-trimethyl-6-phenylheptan-2-yl)benzene.
What is the SMILES notation for (3-methoxy-2,5,6-trimethyl-6-phenylheptan-2-yl)benzene?
The canonical SMILES for (3-methoxy-2,5,6-trimethyl-6-phenylheptan-2-yl)benzene is COC(CC(C)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1.
What is the InChIKey of (3-methoxy-2,5,6-trimethyl-6-phenylheptan-2-yl)benzene?
The InChIKey is RTRRVEAJLFUQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O/c1-18(22(2,3)19-13-9-7-10-14-19)17-21(24-6)23(4,5)20-15-11-8-12-16-20/h7-16,18,21H,17H2,1-6H3.
What are the key properties of (3-methoxy-2,5,6-trimethyl-6-phenylheptan-2-yl)benzene?
(3-methoxy-2,5,6-trimethyl-6-phenylheptan-2-yl)benzene has a molecular weight of 324.51 g/mol, XLogP of 5.98, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-2,5,6-trimethyl-6-phenylheptan-2-yl)benzene is sourced from PubChem (CID 175269068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).