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

C16H22O5 — CID 153388725

IUPAC[4-[3-(1,3-dioxolan-2-yl)-4-methoxyphenyl]oxan-4-yl]methanol
SMILESCOc1ccc(C2(CO)CCOCC2)cc1C1OCCO1
InChIInChI=1S/C16H22O5/c1-18-14-3-2-12(10-13(14)15-20-8-9-21-15)16(11-17)4-6-19-7-5-16/h2-3,10,15,17H,4-9,11H2,1H3
InChIKeyVXTXDTILBPELDD-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.78
Rot. Bonds4

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

[4-[3-(1,3-dioxolan-2-yl)-4-methoxyphenyl]oxan-4-yl]methanol (PubChem CID 153388725) 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]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[3-(1,3-dioxolan-2-yl)-4-methoxyphenyl]oxan-4-yl]methanol
PubChem CID153388725
Molecular FormulaC16H22O5
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC Name[4-[3-(1,3-dioxolan-2-yl)-4-methoxyphenyl]oxan-4-yl]methanol
SMILESCOc1ccc(C2(CO)CCOCC2)cc1C1OCCO1
InChIInChI=1S/C16H22O5/c1-18-14-3-2-12(10-13(14)15-20-8-9-21-15)16(11-17)4-6-19-7-5-16/h2-3,10,15,17H,4-9,11H2,1H3
InChIKeyVXTXDTILBPELDD-UHFFFAOYSA-N
XLogP1.78
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
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]oxan-4-yl]methanol?
The IUPAC name of [4-[3-(1,3-dioxolan-2-yl)-4-methoxyphenyl]oxan-4-yl]methanol (CID 153388725) is [4-[3-(1,3-dioxolan-2-yl)-4-methoxyphenyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[3-(1,3-dioxolan-2-yl)-4-methoxyphenyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[3-(1,3-dioxolan-2-yl)-4-methoxyphenyl]oxan-4-yl]methanol is COc1ccc(C2(CO)CCOCC2)cc1C1OCCO1.
What is the InChIKey of [4-[3-(1,3-dioxolan-2-yl)-4-methoxyphenyl]oxan-4-yl]methanol?
The InChIKey is VXTXDTILBPELDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O5/c1-18-14-3-2-12(10-13(14)15-20-8-9-21-15)16(11-17)4-6-19-7-5-16/h2-3,10,15,17H,4-9,11H2,1H3.
What are the key properties of [4-[3-(1,3-dioxolan-2-yl)-4-methoxyphenyl]oxan-4-yl]methanol?
[4-[3-(1,3-dioxolan-2-yl)-4-methoxyphenyl]oxan-4-yl]methanol has a molecular weight of 294.35 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 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]oxan-4-yl]methanol is sourced from PubChem (CID 153388725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).