1-ethoxy-3-hexoxy-2-phenylbenzene

C20H26O2 — CID 141138385

IUPAC1-ethoxy-3-hexoxy-2-phenylbenzene
SMILESCCCCCCOc1cccc(OCC)c1-c1ccccc1
InChIInChI=1S/C20H26O2/c1-3-5-6-10-16-22-19-15-11-14-18(21-4-2)20(19)17-12-8-7-9-13-17/h7-9,11-15H,3-6,10,16H2,1-2H3
InChIKeyAZNDWYVMKFTIDX-UHFFFAOYSA-N
MW298.43 g/mol
LogP5.71
Rot. Bonds9

About 1-ethoxy-3-hexoxy-2-phenylbenzene

1-ethoxy-3-hexoxy-2-phenylbenzene (PubChem CID 141138385) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-ethoxy-3-hexoxy-2-phenylbenzene.

Molecular Properties

Compound Name1-ethoxy-3-hexoxy-2-phenylbenzene
PubChem CID141138385
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name1-ethoxy-3-hexoxy-2-phenylbenzene
SMILESCCCCCCOc1cccc(OCC)c1-c1ccccc1
InChIInChI=1S/C20H26O2/c1-3-5-6-10-16-22-19-15-11-14-18(21-4-2)20(19)17-12-8-7-9-13-17/h7-9,11-15H,3-6,10,16H2,1-2H3
InChIKeyAZNDWYVMKFTIDX-UHFFFAOYSA-N
XLogP5.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-heptoxy-2,3-diphenylbenzene
CID 91223664
10-(3-heptoxy-2-phenylphenoxy)decane-1-sulfonic acid
CID 139975263
9-(2-phenyl-3-undecoxyphenoxy)nonane-1-sulfonic acid
CID 139975240
3-hexoxy-N,N,2-triphenylaniline
CID 174676393
2-phenyl-3-tridecoxybenzoic acid
CID 70434237
1-octadecoxy-2-phenylbenzene
CID 70983974
1,2-diethoxy-3-pentoxybenzene
CID 174527240
1,3-bis(dec-9-enoxy)-2-phenylbenzene
CID 134837533
bis(1-iodo-3-octoxy-2-phenylbenzene);sulfuric acid;tetrafluoromethane
CID 173114282
2-phenyl-3-propoxyphenol
CID 155695054
1-pentoxy-2-(4-phenylphenyl)benzene
CID 173284868
1,2,3-trihexadecoxybenzene
CID 15518170

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-hexoxy-2-phenylbenzene?
The IUPAC name of 1-ethoxy-3-hexoxy-2-phenylbenzene (CID 141138385) is 1-ethoxy-3-hexoxy-2-phenylbenzene.
What is the SMILES notation for 1-ethoxy-3-hexoxy-2-phenylbenzene?
The canonical SMILES for 1-ethoxy-3-hexoxy-2-phenylbenzene is CCCCCCOc1cccc(OCC)c1-c1ccccc1.
What is the InChIKey of 1-ethoxy-3-hexoxy-2-phenylbenzene?
The InChIKey is AZNDWYVMKFTIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-3-5-6-10-16-22-19-15-11-14-18(21-4-2)20(19)17-12-8-7-9-13-17/h7-9,11-15H,3-6,10,16H2,1-2H3.
What are the key properties of 1-ethoxy-3-hexoxy-2-phenylbenzene?
1-ethoxy-3-hexoxy-2-phenylbenzene has a molecular weight of 298.43 g/mol, XLogP of 5.71, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-hexoxy-2-phenylbenzene is sourced from PubChem (CID 141138385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).