4-[3-(1,3-dioxolan-2-yl)-4-methoxyphenyl]-4-methoxyoxane

C16H22O5 — CID 153388800

IUPAC4-[3-(1,3-dioxolan-2-yl)-4-methoxyphenyl]-4-methoxyoxane
SMILESCOc1ccc(C2(OC)CCOCC2)cc1C1OCCO1
InChIInChI=1S/C16H22O5/c1-17-14-4-3-12(11-13(14)15-20-9-10-21-15)16(18-2)5-7-19-8-6-16/h3-4,11,15H,5-10H2,1-2H3
InChIKeyYYZYTTGZNHHFLP-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.39
Rot. Bonds4

About 4-[3-(1,3-dioxolan-2-yl)-4-methoxyphenyl]-4-methoxyoxane

4-[3-(1,3-dioxolan-2-yl)-4-methoxyphenyl]-4-methoxyoxane (PubChem CID 153388800) has the molecular formula C16H22O5 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-[3-(1,3-dioxolan-2-yl)-4-methoxyphenyl]-4-methoxyoxane.

Molecular Properties

Compound Name4-[3-(1,3-dioxolan-2-yl)-4-methoxyphenyl]-4-methoxyoxane
PubChem CID153388800
Molecular FormulaC16H22O5
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC Name4-[3-(1,3-dioxolan-2-yl)-4-methoxyphenyl]-4-methoxyoxane
SMILESCOc1ccc(C2(OC)CCOCC2)cc1C1OCCO1
InChIInChI=1S/C16H22O5/c1-17-14-4-3-12(11-13(14)15-20-9-10-21-15)16(18-2)5-7-19-8-6-16/h3-4,11,15H,5-10H2,1-2H3
InChIKeyYYZYTTGZNHHFLP-UHFFFAOYSA-N
XLogP2.39
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,3-dioxolan-2-yl)-4-methoxyphenyl]-4-methoxyoxane?
The IUPAC name of 4-[3-(1,3-dioxolan-2-yl)-4-methoxyphenyl]-4-methoxyoxane (CID 153388800) is 4-[3-(1,3-dioxolan-2-yl)-4-methoxyphenyl]-4-methoxyoxane.
What is the SMILES notation for 4-[3-(1,3-dioxolan-2-yl)-4-methoxyphenyl]-4-methoxyoxane?
The canonical SMILES for 4-[3-(1,3-dioxolan-2-yl)-4-methoxyphenyl]-4-methoxyoxane is COc1ccc(C2(OC)CCOCC2)cc1C1OCCO1.
What is the InChIKey of 4-[3-(1,3-dioxolan-2-yl)-4-methoxyphenyl]-4-methoxyoxane?
The InChIKey is YYZYTTGZNHHFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O5/c1-17-14-4-3-12(11-13(14)15-20-9-10-21-15)16(18-2)5-7-19-8-6-16/h3-4,11,15H,5-10H2,1-2H3.
What are the key properties of 4-[3-(1,3-dioxolan-2-yl)-4-methoxyphenyl]-4-methoxyoxane?
4-[3-(1,3-dioxolan-2-yl)-4-methoxyphenyl]-4-methoxyoxane has a molecular weight of 294.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,3-dioxolan-2-yl)-4-methoxyphenyl]-4-methoxyoxane is sourced from PubChem (CID 153388800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).