(6-methoxy-2,3-dimethyl-2-phenylhexan-3-yl)benzene

C21H28O — CID 170451960

IUPAC(6-methoxy-2,3-dimethyl-2-phenylhexan-3-yl)benzene
SMILESCOCCCC(C)(c1ccccc1)C(C)(C)c1ccccc1
InChIInChI=1S/C21H28O/c1-20(2,18-12-7-5-8-13-18)21(3,16-11-17-22-4)19-14-9-6-10-15-19/h5-10,12-15H,11,16-17H2,1-4H3
InChIKeyFVTQGRROTCOJOI-UHFFFAOYSA-N
MW296.45 g/mol
LogP5.35
Rot. Bonds7

About (6-methoxy-2,3-dimethyl-2-phenylhexan-3-yl)benzene

(6-methoxy-2,3-dimethyl-2-phenylhexan-3-yl)benzene (PubChem CID 170451960) has the molecular formula C21H28O and a molecular weight of 296.45 g/mol. Its IUPAC name is (6-methoxy-2,3-dimethyl-2-phenylhexan-3-yl)benzene.

Molecular Properties

Compound Name(6-methoxy-2,3-dimethyl-2-phenylhexan-3-yl)benzene
PubChem CID170451960
Molecular FormulaC21H28O
Molecular Weight296.45 g/mol
Exact Mass296.21
IUPAC Name(6-methoxy-2,3-dimethyl-2-phenylhexan-3-yl)benzene
SMILESCOCCCC(C)(c1ccccc1)C(C)(C)c1ccccc1
InChIInChI=1S/C21H28O/c1-20(2,18-12-7-5-8-13-18)21(3,16-11-17-22-4)19-14-9-6-10-15-19/h5-10,12-15H,11,16-17H2,1-4H3
InChIKeyFVTQGRROTCOJOI-UHFFFAOYSA-N
XLogP5.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.45
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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(2,3-dimethyl-7-methylsulfanyl-2-phenylheptan-3-yl)benzene
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(1,4-dimethoxy-2,3-dimethyl-3-phenylbutan-2-yl)benzene
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2-(aminomethyl)-5-methoxy-2-phenylpentanoic acid
CID 106489362
[(3S)-2,2,3-trimethylheptan-3-yl]benzene
CID 158389582
2-(3-methoxypropylamino)-2-phenylpropan-1-ol
CID 115621374
2-amino-N-(3-methoxypropyl)-N-methyl-2-phenylpropanamide;hydrochloride
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3,4-dimethyl-3,4-diphenylhexane-1,6-diol
CID 102025625
[(E)-1-methoxy-3,5-dimethyl-4-methylidenehept-5-en-3-yl]benzene
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Frequently Asked Questions

What is the IUPAC name of (6-methoxy-2,3-dimethyl-2-phenylhexan-3-yl)benzene?
The IUPAC name of (6-methoxy-2,3-dimethyl-2-phenylhexan-3-yl)benzene (CID 170451960) is (6-methoxy-2,3-dimethyl-2-phenylhexan-3-yl)benzene.
What is the SMILES notation for (6-methoxy-2,3-dimethyl-2-phenylhexan-3-yl)benzene?
The canonical SMILES for (6-methoxy-2,3-dimethyl-2-phenylhexan-3-yl)benzene is COCCCC(C)(c1ccccc1)C(C)(C)c1ccccc1.
What is the InChIKey of (6-methoxy-2,3-dimethyl-2-phenylhexan-3-yl)benzene?
The InChIKey is FVTQGRROTCOJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O/c1-20(2,18-12-7-5-8-13-18)21(3,16-11-17-22-4)19-14-9-6-10-15-19/h5-10,12-15H,11,16-17H2,1-4H3.
What are the key properties of (6-methoxy-2,3-dimethyl-2-phenylhexan-3-yl)benzene?
(6-methoxy-2,3-dimethyl-2-phenylhexan-3-yl)benzene has a molecular weight of 296.45 g/mol, XLogP of 5.35, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-2,3-dimethyl-2-phenylhexan-3-yl)benzene is sourced from PubChem (CID 170451960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).