(6-ethoxy-1,1-diphenylheptyl)benzene

C27H32O — CID 175940887

IUPAC(6-ethoxy-1,1-diphenylheptyl)benzene
SMILESCCOC(C)CCCCC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H32O/c1-3-28-23(2)15-13-14-22-27(24-16-7-4-8-17-24,25-18-9-5-10-19-25)26-20-11-6-12-21-26/h4-12,16-21,23H,3,13-15,22H2,1-2H3
InChIKeyMGYDUIZKXCZUOL-UHFFFAOYSA-N
MW372.55 g/mol
LogP7.01
Rot. Bonds10

About (6-ethoxy-1,1-diphenylheptyl)benzene

(6-ethoxy-1,1-diphenylheptyl)benzene (PubChem CID 175940887) has the molecular formula C27H32O and a molecular weight of 372.55 g/mol. Its IUPAC name is (6-ethoxy-1,1-diphenylheptyl)benzene.

Molecular Properties

Compound Name(6-ethoxy-1,1-diphenylheptyl)benzene
PubChem CID175940887
Molecular FormulaC27H32O
Molecular Weight372.55 g/mol
Exact Mass372.25
IUPAC Name(6-ethoxy-1,1-diphenylheptyl)benzene
SMILESCCOC(C)CCCCC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H32O/c1-3-28-23(2)15-13-14-22-27(24-16-7-4-8-17-24,25-18-9-5-10-19-25)26-20-11-6-12-21-26/h4-12,16-21,23H,3,13-15,22H2,1-2H3
InChIKeyMGYDUIZKXCZUOL-UHFFFAOYSA-N
XLogP7.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.55
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,4,4-triphenylbutane-1,1-diamine
CID 70294591
10,10,10-triphenyldecylphosphanium bromide
CID 69307814
13,13,13-triphenyltridecylphosphanium bromide
CID 71354528
[phenyl(6,6,6-triphenylhexylphosphanyl)methyl]-(6,6,6-triphenylhexyl)phosphane;ruthenium
CID 175888686
2-ethoxytridecane
CID 54143367
CID 123237849
CID 123237849
2-amino-3-octan-2-yloxy-2-phenylpropan-1-ol
CID 64809795
13,13,13-triphenyltridecan-1-ol
CID 150406449
(6-methyl-1,1-diphenylheptoxy)-oxophosphanium
CID 154061823
1,1-diethoxyheptane;1,1-dimethoxyheptane;1,1-dimethoxyhexylbenzene;hexane
CID 175298511
14,14,14-triphenyltetradecylazanium bromide
CID 69305418
6-ethoxy-2,2-dimethylheptanoic acid
CID 58051177

Frequently Asked Questions

What is the IUPAC name of (6-ethoxy-1,1-diphenylheptyl)benzene?
The IUPAC name of (6-ethoxy-1,1-diphenylheptyl)benzene (CID 175940887) is (6-ethoxy-1,1-diphenylheptyl)benzene.
What is the SMILES notation for (6-ethoxy-1,1-diphenylheptyl)benzene?
The canonical SMILES for (6-ethoxy-1,1-diphenylheptyl)benzene is CCOC(C)CCCCC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (6-ethoxy-1,1-diphenylheptyl)benzene?
The InChIKey is MGYDUIZKXCZUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32O/c1-3-28-23(2)15-13-14-22-27(24-16-7-4-8-17-24,25-18-9-5-10-19-25)26-20-11-6-12-21-26/h4-12,16-21,23H,3,13-15,22H2,1-2H3.
What are the key properties of (6-ethoxy-1,1-diphenylheptyl)benzene?
(6-ethoxy-1,1-diphenylheptyl)benzene has a molecular weight of 372.55 g/mol, XLogP of 7.01, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethoxy-1,1-diphenylheptyl)benzene is sourced from PubChem (CID 175940887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).