(1,2-dihexoxy-2-phenylethyl)benzene

C26H38O2 — CID 14092843

IUPAC(1,2-dihexoxy-2-phenylethyl)benzene
SMILESCCCCCCOC(c1ccccc1)C(OCCCCCC)c1ccccc1
InChIInChI=1S/C26H38O2/c1-3-5-7-15-21-27-25(23-17-11-9-12-18-23)26(24-19-13-10-14-20-24)28-22-16-8-6-4-2/h9-14,17-20,25-26H,3-8,15-16,21-22H2,1-2H3
InChIKeyYZSOBGXAXLCLQH-UHFFFAOYSA-N
MW382.59 g/mol
LogP7.66
Rot. Bonds15

About (1,2-dihexoxy-2-phenylethyl)benzene

(1,2-dihexoxy-2-phenylethyl)benzene (PubChem CID 14092843) has the molecular formula C26H38O2 and a molecular weight of 382.59 g/mol. Its IUPAC name is (1,2-dihexoxy-2-phenylethyl)benzene.

Molecular Properties

Compound Name(1,2-dihexoxy-2-phenylethyl)benzene
PubChem CID14092843
Molecular FormulaC26H38O2
Molecular Weight382.59 g/mol
Exact Mass382.29
IUPAC Name(1,2-dihexoxy-2-phenylethyl)benzene
SMILESCCCCCCOC(c1ccccc1)C(OCCCCCC)c1ccccc1
InChIInChI=1S/C26H38O2/c1-3-5-7-15-21-27-25(23-17-11-9-12-18-23)26(24-19-13-10-14-20-24)28-22-16-8-6-4-2/h9-14,17-20,25-26H,3-8,15-16,21-22H2,1-2H3
InChIKeyYZSOBGXAXLCLQH-UHFFFAOYSA-N
XLogP7.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 57.66
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

didecoxymethylbenzene
CID 150039155
1-pentoxypropylbenzene
CID 57033372
[(1R,2R)-2-phenyl-1,2-dipropoxyethyl]benzene
CID 10983775
[1-butoxy-2-(3-methylbutoxy)-2-phenylethyl]benzene
CID 139393088
nonoxy(phenyl)methanol
CID 70405769
1-dodecoxyhexylbenzene
CID 174774790
octadecoxy(phenyl)methanol
CID 141167921
1-pentoxyethylbenzene;hydrate
CID 174634303
1-pentoxybutylbenzene
CID 173061669
[chloro(pentoxy)methyl]benzene
CID 141305175
1-nonadecoxyprop-2-enylbenzene
CID 139672742
1-tridecoxyprop-2-enylbenzene
CID 139672746

Frequently Asked Questions

What is the IUPAC name of (1,2-dihexoxy-2-phenylethyl)benzene?
The IUPAC name of (1,2-dihexoxy-2-phenylethyl)benzene (CID 14092843) is (1,2-dihexoxy-2-phenylethyl)benzene.
What is the SMILES notation for (1,2-dihexoxy-2-phenylethyl)benzene?
The canonical SMILES for (1,2-dihexoxy-2-phenylethyl)benzene is CCCCCCOC(c1ccccc1)C(OCCCCCC)c1ccccc1.
What is the InChIKey of (1,2-dihexoxy-2-phenylethyl)benzene?
The InChIKey is YZSOBGXAXLCLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O2/c1-3-5-7-15-21-27-25(23-17-11-9-12-18-23)26(24-19-13-10-14-20-24)28-22-16-8-6-4-2/h9-14,17-20,25-26H,3-8,15-16,21-22H2,1-2H3.
What are the key properties of (1,2-dihexoxy-2-phenylethyl)benzene?
(1,2-dihexoxy-2-phenylethyl)benzene has a molecular weight of 382.59 g/mol, XLogP of 7.66, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dihexoxy-2-phenylethyl)benzene is sourced from PubChem (CID 14092843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).