(1,4-dimethoxy-2,3-dimethyl-3-phenylbutan-2-yl)benzene

C20H26O2 — CID 131848966

IUPAC(1,4-dimethoxy-2,3-dimethyl-3-phenylbutan-2-yl)benzene
SMILESCOCC(C)(c1ccccc1)C(C)(COC)c1ccccc1
InChIInChI=1S/C20H26O2/c1-19(15-21-3,17-11-7-5-8-12-17)20(2,16-22-4)18-13-9-6-10-14-18/h5-14H,15-16H2,1-4H3
InChIKeyOWDBLBVSORQVJZ-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.20
Rot. Bonds7

About (1,4-dimethoxy-2,3-dimethyl-3-phenylbutan-2-yl)benzene

(1,4-dimethoxy-2,3-dimethyl-3-phenylbutan-2-yl)benzene (PubChem CID 131848966) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is (1,4-dimethoxy-2,3-dimethyl-3-phenylbutan-2-yl)benzene.

Molecular Properties

Compound Name(1,4-dimethoxy-2,3-dimethyl-3-phenylbutan-2-yl)benzene
PubChem CID131848966
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name(1,4-dimethoxy-2,3-dimethyl-3-phenylbutan-2-yl)benzene
SMILESCOCC(C)(c1ccccc1)C(C)(COC)c1ccccc1
InChIInChI=1S/C20H26O2/c1-19(15-21-3,17-11-7-5-8-12-17)20(2,16-22-4)18-13-9-6-10-14-18/h5-14H,15-16H2,1-4H3
InChIKeyOWDBLBVSORQVJZ-UHFFFAOYSA-N
XLogP4.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 158389580
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CID 150061832
(6-methoxy-2,3-dimethyl-2-phenylhexan-3-yl)benzene
CID 170451960
[(3S)-7-methoxy-2,2,3-trimethylheptan-3-yl]benzene
CID 159915288
[1-(2,2-diphenylpropylperoxy)-2-phenylpropan-2-yl]benzene
CID 23018909
1-(2,2,2-triphenylethoxy)ethane-1,1-diol
CID 54503444
1-(tert-butylamino)-3-methoxy-2-phenylpropan-2-ol
CID 103466071
1-methoxy-2-phenylpentan-2-ol
CID 79566426
2-methoxy-1-(4-methylphenyl)-1-phenylethanol
CID 50903538
(3-methoxy-2,2-dimethylpropoxy)benzene
CID 141306670
3,4-dimethyl-3,4-diphenylhexane-1,6-diol
CID 102025625
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CID 139942960

Frequently Asked Questions

What is the IUPAC name of (1,4-dimethoxy-2,3-dimethyl-3-phenylbutan-2-yl)benzene?
The IUPAC name of (1,4-dimethoxy-2,3-dimethyl-3-phenylbutan-2-yl)benzene (CID 131848966) is (1,4-dimethoxy-2,3-dimethyl-3-phenylbutan-2-yl)benzene.
What is the SMILES notation for (1,4-dimethoxy-2,3-dimethyl-3-phenylbutan-2-yl)benzene?
The canonical SMILES for (1,4-dimethoxy-2,3-dimethyl-3-phenylbutan-2-yl)benzene is COCC(C)(c1ccccc1)C(C)(COC)c1ccccc1.
What is the InChIKey of (1,4-dimethoxy-2,3-dimethyl-3-phenylbutan-2-yl)benzene?
The InChIKey is OWDBLBVSORQVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-19(15-21-3,17-11-7-5-8-12-17)20(2,16-22-4)18-13-9-6-10-14-18/h5-14H,15-16H2,1-4H3.
What are the key properties of (1,4-dimethoxy-2,3-dimethyl-3-phenylbutan-2-yl)benzene?
(1,4-dimethoxy-2,3-dimethyl-3-phenylbutan-2-yl)benzene has a molecular weight of 298.43 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethoxy-2,3-dimethyl-3-phenylbutan-2-yl)benzene is sourced from PubChem (CID 131848966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).