2-(3-methoxy-4-phenylphenyl)-1,3-dioxolane

C16H16O3 — CID 170874319

IUPAC2-(3-methoxy-4-phenylphenyl)-1,3-dioxolane
SMILESCOc1cc(C2OCCO2)ccc1-c1ccccc1
InChIInChI=1S/C16H16O3/c1-17-15-11-13(16-18-9-10-19-16)7-8-14(15)12-5-3-2-4-6-12/h2-8,11,16H,9-10H2,1H3
InChIKeyHNKCQNBWKGUKGU-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.41
Rot. Bonds3

About 2-(3-methoxy-4-phenylphenyl)-1,3-dioxolane

2-(3-methoxy-4-phenylphenyl)-1,3-dioxolane (PubChem CID 170874319) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-(3-methoxy-4-phenylphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(3-methoxy-4-phenylphenyl)-1,3-dioxolane
PubChem CID170874319
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2-(3-methoxy-4-phenylphenyl)-1,3-dioxolane
SMILESCOc1cc(C2OCCO2)ccc1-c1ccccc1
InChIInChI=1S/C16H16O3/c1-17-15-11-13(16-18-9-10-19-16)7-8-14(15)12-5-3-2-4-6-12/h2-8,11,16H,9-10H2,1H3
InChIKeyHNKCQNBWKGUKGU-UHFFFAOYSA-N
XLogP3.41
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-methoxy-1-phenylbenzene
CID 18379655
2-(3-methoxyphenyl)-1,3-dioxolane
CID 11062994
1,2,4-trimethoxy-5-phenylbenzene
CID 18788699
[4-(1,3-dioxolan-2-yl)-2-methoxyphenyl] 2-methylpropanoate
CID 170874022
6,7-dimethoxy-1,4-diphenylnaphthalene
CID 134090814
4-ethynyl-2-methoxy-1-phenylbenzene
CID 12788025
2-[3-methoxy-4-(3-nitrophenoxy)phenyl]-1,3-dioxolane
CID 141174842
[3-(1,3-dioxolan-2-yl)phenyl]-(4-methoxyphenyl)methanol
CID 54520451
(2R,3R)-2,3-bis(2-phenylphenoxy)-1,4-dioxane
CID 2311165
1-methoxy-4-methyl-2,5-diphenylbenzene
CID 20717375
3-methoxy-4-phenylbenzenesulfonyl chloride
CID 115059705
2-[3-(3-methylphenyl)phenyl]-1,3-dioxolane
CID 170874298

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-phenylphenyl)-1,3-dioxolane?
The IUPAC name of 2-(3-methoxy-4-phenylphenyl)-1,3-dioxolane (CID 170874319) is 2-(3-methoxy-4-phenylphenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(3-methoxy-4-phenylphenyl)-1,3-dioxolane?
The canonical SMILES for 2-(3-methoxy-4-phenylphenyl)-1,3-dioxolane is COc1cc(C2OCCO2)ccc1-c1ccccc1.
What is the InChIKey of 2-(3-methoxy-4-phenylphenyl)-1,3-dioxolane?
The InChIKey is HNKCQNBWKGUKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-17-15-11-13(16-18-9-10-19-16)7-8-14(15)12-5-3-2-4-6-12/h2-8,11,16H,9-10H2,1H3.
What are the key properties of 2-(3-methoxy-4-phenylphenyl)-1,3-dioxolane?
2-(3-methoxy-4-phenylphenyl)-1,3-dioxolane has a molecular weight of 256.30 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-phenylphenyl)-1,3-dioxolane is sourced from PubChem (CID 170874319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).