1-(2,2-dimethoxyethyl)-2-phenylbenzene

C16H18O2 — CID 174663950

IUPAC1-(2,2-dimethoxyethyl)-2-phenylbenzene
SMILESCOC(Cc1ccccc1-c1ccccc1)OC
InChIInChI=1S/C16H18O2/c1-17-16(18-2)12-14-10-6-7-11-15(14)13-8-4-3-5-9-13/h3-11,16H,12H2,1-2H3
InChIKeyRWNHBRCZTOXYKK-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.52
Rot. Bonds5

About 1-(2,2-dimethoxyethyl)-2-phenylbenzene

1-(2,2-dimethoxyethyl)-2-phenylbenzene (PubChem CID 174663950) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(2,2-dimethoxyethyl)-2-phenylbenzene.

Molecular Properties

Compound Name1-(2,2-dimethoxyethyl)-2-phenylbenzene
PubChem CID174663950
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name1-(2,2-dimethoxyethyl)-2-phenylbenzene
SMILESCOC(Cc1ccccc1-c1ccccc1)OC
InChIInChI=1S/C16H18O2/c1-17-16(18-2)12-14-10-6-7-11-15(14)13-8-4-3-5-9-13/h3-11,16H,12H2,1-2H3
InChIKeyRWNHBRCZTOXYKK-UHFFFAOYSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethoxyethyl)-2-phenylbenzene?
The IUPAC name of 1-(2,2-dimethoxyethyl)-2-phenylbenzene (CID 174663950) is 1-(2,2-dimethoxyethyl)-2-phenylbenzene.
What is the SMILES notation for 1-(2,2-dimethoxyethyl)-2-phenylbenzene?
The canonical SMILES for 1-(2,2-dimethoxyethyl)-2-phenylbenzene is COC(Cc1ccccc1-c1ccccc1)OC.
What is the InChIKey of 1-(2,2-dimethoxyethyl)-2-phenylbenzene?
The InChIKey is RWNHBRCZTOXYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-17-16(18-2)12-14-10-6-7-11-15(14)13-8-4-3-5-9-13/h3-11,16H,12H2,1-2H3.
What are the key properties of 1-(2,2-dimethoxyethyl)-2-phenylbenzene?
1-(2,2-dimethoxyethyl)-2-phenylbenzene has a molecular weight of 242.32 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethoxyethyl)-2-phenylbenzene is sourced from PubChem (CID 174663950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).