methoxy-[5-(2-methylphenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol

C18H20O4 — CID 123770104

IUPACmethoxy-[5-(2-methylphenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
SMILESCOC(O)C1OC(c2ccccc2)OC1c1ccccc1C
InChIInChI=1S/C18H20O4/c1-12-8-6-7-11-14(12)15-16(17(19)20-2)22-18(21-15)13-9-4-3-5-10-13/h3-11,15-19H,1-2H3
InChIKeyHTJRCGNGPKDDLC-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.12
Rot. Bonds4

About methoxy-[5-(2-methylphenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol

methoxy-[5-(2-methylphenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol (PubChem CID 123770104) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is methoxy-[5-(2-methylphenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Namemethoxy-[5-(2-methylphenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
PubChem CID123770104
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Namemethoxy-[5-(2-methylphenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
SMILESCOC(O)C1OC(c2ccccc2)OC1c1ccccc1C
InChIInChI=1S/C18H20O4/c1-12-8-6-7-11-14(12)15-16(17(19)20-2)22-18(21-15)13-9-4-3-5-10-13/h3-11,15-19H,1-2H3
InChIKeyHTJRCGNGPKDDLC-UHFFFAOYSA-N
XLogP3.12
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxy-[5-(2-methylphenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of methoxy-[5-(2-methylphenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol (CID 123770104) is methoxy-[5-(2-methylphenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for methoxy-[5-(2-methylphenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for methoxy-[5-(2-methylphenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol is COC(O)C1OC(c2ccccc2)OC1c1ccccc1C.
What is the InChIKey of methoxy-[5-(2-methylphenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is HTJRCGNGPKDDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-12-8-6-7-11-14(12)15-16(17(19)20-2)22-18(21-15)13-9-4-3-5-10-13/h3-11,15-19H,1-2H3.
What are the key properties of methoxy-[5-(2-methylphenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol?
methoxy-[5-(2-methylphenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 300.35 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-[5-(2-methylphenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 123770104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).