[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-(4-hydroxyphenyl)methanone

C19H20O5 — CID 90480248

IUPAC[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-(4-hydroxyphenyl)methanone
SMILESCC1(C)OCC(COc2ccc(C(=O)c3ccc(O)cc3)cc2)O1
InChIInChI=1S/C19H20O5/c1-19(2)23-12-17(24-19)11-22-16-9-5-14(6-10-16)18(21)13-3-7-15(20)8-4-13/h3-10,17,20H,11-12H2,1-2H3
InChIKeyWSNXRDBULLDSLX-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.15
Rot. Bonds5

About [4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-(4-hydroxyphenyl)methanone

[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-(4-hydroxyphenyl)methanone (PubChem CID 90480248) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is [4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-(4-hydroxyphenyl)methanone
PubChem CID90480248
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Name[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-(4-hydroxyphenyl)methanone
SMILESCC1(C)OCC(COc2ccc(C(=O)c3ccc(O)cc3)cc2)O1
InChIInChI=1S/C19H20O5/c1-19(2)23-12-17(24-19)11-22-16-9-5-14(6-10-16)18(21)13-3-7-15(20)8-4-13/h3-10,17,20H,11-12H2,1-2H3
InChIKeyWSNXRDBULLDSLX-UHFFFAOYSA-N
XLogP3.15
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-(4-hydroxyphenyl)methanone?
The IUPAC name of [4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-(4-hydroxyphenyl)methanone (CID 90480248) is [4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-(4-hydroxyphenyl)methanone.
What is the SMILES notation for [4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-(4-hydroxyphenyl)methanone?
The canonical SMILES for [4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-(4-hydroxyphenyl)methanone is CC1(C)OCC(COc2ccc(C(=O)c3ccc(O)cc3)cc2)O1.
What is the InChIKey of [4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-(4-hydroxyphenyl)methanone?
The InChIKey is WSNXRDBULLDSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5/c1-19(2)23-12-17(24-19)11-22-16-9-5-14(6-10-16)18(21)13-3-7-15(20)8-4-13/h3-10,17,20H,11-12H2,1-2H3.
What are the key properties of [4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-(4-hydroxyphenyl)methanone?
[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-(4-hydroxyphenyl)methanone has a molecular weight of 328.36 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 90480248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).