2-[2-[(3-phenoxyphenyl)methoxy]oxolan-3-yl]propan-2-ol

C20H24O4 — CID 70554587

IUPAC2-[2-[(3-phenoxyphenyl)methoxy]oxolan-3-yl]propan-2-ol
SMILESCC(C)(O)C1CCOC1OCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H24O4/c1-20(2,21)18-11-12-22-19(18)23-14-15-7-6-10-17(13-15)24-16-8-4-3-5-9-16/h3-10,13,18-19,21H,11-12,14H2,1-2H3
InChIKeyFNNWNZLEHHJPKX-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.13
Rot. Bonds6

About 2-[2-[(3-phenoxyphenyl)methoxy]oxolan-3-yl]propan-2-ol

2-[2-[(3-phenoxyphenyl)methoxy]oxolan-3-yl]propan-2-ol (PubChem CID 70554587) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-[2-[(3-phenoxyphenyl)methoxy]oxolan-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[(3-phenoxyphenyl)methoxy]oxolan-3-yl]propan-2-ol
PubChem CID70554587
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name2-[2-[(3-phenoxyphenyl)methoxy]oxolan-3-yl]propan-2-ol
SMILESCC(C)(O)C1CCOC1OCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H24O4/c1-20(2,21)18-11-12-22-19(18)23-14-15-7-6-10-17(13-15)24-16-8-4-3-5-9-16/h3-10,13,18-19,21H,11-12,14H2,1-2H3
InChIKeyFNNWNZLEHHJPKX-UHFFFAOYSA-N
XLogP4.13
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-phenoxyphenyl)methoxy]oxolan-3-yl]propan-2-ol?
The IUPAC name of 2-[2-[(3-phenoxyphenyl)methoxy]oxolan-3-yl]propan-2-ol (CID 70554587) is 2-[2-[(3-phenoxyphenyl)methoxy]oxolan-3-yl]propan-2-ol.
What is the SMILES notation for 2-[2-[(3-phenoxyphenyl)methoxy]oxolan-3-yl]propan-2-ol?
The canonical SMILES for 2-[2-[(3-phenoxyphenyl)methoxy]oxolan-3-yl]propan-2-ol is CC(C)(O)C1CCOC1OCc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2-[2-[(3-phenoxyphenyl)methoxy]oxolan-3-yl]propan-2-ol?
The InChIKey is FNNWNZLEHHJPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-20(2,21)18-11-12-22-19(18)23-14-15-7-6-10-17(13-15)24-16-8-4-3-5-9-16/h3-10,13,18-19,21H,11-12,14H2,1-2H3.
What are the key properties of 2-[2-[(3-phenoxyphenyl)methoxy]oxolan-3-yl]propan-2-ol?
2-[2-[(3-phenoxyphenyl)methoxy]oxolan-3-yl]propan-2-ol has a molecular weight of 328.41 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-phenoxyphenyl)methoxy]oxolan-3-yl]propan-2-ol is sourced from PubChem (CID 70554587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).