(1,6-dimethoxy-4-phenylhexan-3-yl)benzene

C20H26O2 — CID 12709498

IUPAC(1,6-dimethoxy-4-phenylhexan-3-yl)benzene
SMILESCOCCC(c1ccccc1)C(CCOC)c1ccccc1
InChIInChI=1S/C20H26O2/c1-21-15-13-19(17-9-5-3-6-10-17)20(14-16-22-2)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3
InChIKeyHOMMDVVLQCGEJU-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.63
Rot. Bonds9

About (1,6-dimethoxy-4-phenylhexan-3-yl)benzene

(1,6-dimethoxy-4-phenylhexan-3-yl)benzene (PubChem CID 12709498) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is (1,6-dimethoxy-4-phenylhexan-3-yl)benzene.

Molecular Properties

Compound Name(1,6-dimethoxy-4-phenylhexan-3-yl)benzene
PubChem CID12709498
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name(1,6-dimethoxy-4-phenylhexan-3-yl)benzene
SMILESCOCCC(c1ccccc1)C(CCOC)c1ccccc1
InChIInChI=1S/C20H26O2/c1-21-15-13-19(17-9-5-3-6-10-17)20(14-16-22-2)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3
InChIKeyHOMMDVVLQCGEJU-UHFFFAOYSA-N
XLogP4.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-methoxypropan-2-ylbenzene;uranium
CID 145056385
1-[(3S)-1-methoxy-4-methylpentan-3-yl]-3-methylbenzene
CID 155032957
N-(2,2-diphenylethyl)-4-methoxybutan-2-amine
CID 103746904
(3-methoxy-1-phenylpropyl)carbamic acid
CID 67224649
1-methoxy-2-phenylpentan-3-amine
CID 103466357
N,N,N',N'-tetrakis(2-methoxyethyl)-1,2-diphenylethane-1,2-diamine
CID 613655
[4-methoxy-2-(2-methoxyethyl)butyl]benzene
CID 175035100
6-methoxy-N,4-dimethyl-2-phenylhexan-3-amine
CID 114029143
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CID 169266933

Frequently Asked Questions

What is the IUPAC name of (1,6-dimethoxy-4-phenylhexan-3-yl)benzene?
The IUPAC name of (1,6-dimethoxy-4-phenylhexan-3-yl)benzene (CID 12709498) is (1,6-dimethoxy-4-phenylhexan-3-yl)benzene.
What is the SMILES notation for (1,6-dimethoxy-4-phenylhexan-3-yl)benzene?
The canonical SMILES for (1,6-dimethoxy-4-phenylhexan-3-yl)benzene is COCCC(c1ccccc1)C(CCOC)c1ccccc1.
What is the InChIKey of (1,6-dimethoxy-4-phenylhexan-3-yl)benzene?
The InChIKey is HOMMDVVLQCGEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-21-15-13-19(17-9-5-3-6-10-17)20(14-16-22-2)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3.
What are the key properties of (1,6-dimethoxy-4-phenylhexan-3-yl)benzene?
(1,6-dimethoxy-4-phenylhexan-3-yl)benzene has a molecular weight of 298.43 g/mol, XLogP of 4.63, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,6-dimethoxy-4-phenylhexan-3-yl)benzene is sourced from PubChem (CID 12709498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).