2-phenyl-2-(2-phenylmethoxyethyl)-1,3-dioxolane

C18H20O3 — CID 101039125

IUPAC2-phenyl-2-(2-phenylmethoxyethyl)-1,3-dioxolane
SMILESc1ccc(COCCC2(c3ccccc3)OCCO2)cc1
InChIInChI=1S/C18H20O3/c1-3-7-16(8-4-1)15-19-12-11-18(20-13-14-21-18)17-9-5-2-6-10-17/h1-10H,11-15H2
InChIKeyOOHFUJXNARASJK-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.49
Rot. Bonds6

About 2-phenyl-2-(2-phenylmethoxyethyl)-1,3-dioxolane

2-phenyl-2-(2-phenylmethoxyethyl)-1,3-dioxolane (PubChem CID 101039125) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-phenyl-2-(2-phenylmethoxyethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-phenyl-2-(2-phenylmethoxyethyl)-1,3-dioxolane
PubChem CID101039125
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name2-phenyl-2-(2-phenylmethoxyethyl)-1,3-dioxolane
SMILESc1ccc(COCCC2(c3ccccc3)OCCO2)cc1
InChIInChI=1S/C18H20O3/c1-3-7-16(8-4-1)15-19-12-11-18(20-13-14-21-18)17-9-5-2-6-10-17/h1-10H,11-15H2
InChIKeyOOHFUJXNARASJK-UHFFFAOYSA-N
XLogP3.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(iodomethyl)-2-(2-phenylmethoxyethyl)-1,3-dioxolane
CID 142703154
3-[2-(2-phenylmethoxyethyl)-1,3-dioxolan-2-yl]propan-1-ol
CID 14395384
2-methyl-2-(2-phenylmethoxyethyl)oxolane
CID 151587954
2-(2-phenyl-1,3-dioxolan-2-yl)ethyl 2,2,3,3,3-pentafluoropropanoate
CID 20710207
8-(2-phenylmethoxyethyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 130536954
2-[2-[(2E)-5-methylhexa-2,4-dien-2-yl]sulfanyloxyethyl]-2-phenyl-1,3-dioxolane
CID 129262203
benzyl 4-(2-butyl-1,3-dioxolan-2-yl)benzoate
CID 59772895
2-methyl-3-(2-phenylmethoxyethyl)oxolan-3-amine
CID 130537408
(2R)-2-butyl-2-(3-phenylmethoxypropyl)oxirane
CID 102021945
N-[2-(2-phenyl-1,3-dioxolan-2-yl)ethoxy]-2,4,6-tri(propan-2-yl)aniline
CID 144690568
2,2-bis(phenylmethoxymethyl)-1,3-dioxane
CID 59792450
5-(2-phenyl-1,3-dioxolan-2-yl)pentan-2-ol
CID 68649617

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(2-phenylmethoxyethyl)-1,3-dioxolane?
The IUPAC name of 2-phenyl-2-(2-phenylmethoxyethyl)-1,3-dioxolane (CID 101039125) is 2-phenyl-2-(2-phenylmethoxyethyl)-1,3-dioxolane.
What is the SMILES notation for 2-phenyl-2-(2-phenylmethoxyethyl)-1,3-dioxolane?
The canonical SMILES for 2-phenyl-2-(2-phenylmethoxyethyl)-1,3-dioxolane is c1ccc(COCCC2(c3ccccc3)OCCO2)cc1.
What is the InChIKey of 2-phenyl-2-(2-phenylmethoxyethyl)-1,3-dioxolane?
The InChIKey is OOHFUJXNARASJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-3-7-16(8-4-1)15-19-12-11-18(20-13-14-21-18)17-9-5-2-6-10-17/h1-10H,11-15H2.
What are the key properties of 2-phenyl-2-(2-phenylmethoxyethyl)-1,3-dioxolane?
2-phenyl-2-(2-phenylmethoxyethyl)-1,3-dioxolane has a molecular weight of 284.36 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(2-phenylmethoxyethyl)-1,3-dioxolane is sourced from PubChem (CID 101039125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).