2,3-bis(methoxymethyl)-1-methylinden-1-ol

C14H18O3 — CID 10868225

IUPAC2,3-bis(methoxymethyl)-1-methylinden-1-ol
SMILESCOCC1=C(COC)C(C)(O)c2ccccc21
InChIInChI=1S/C14H18O3/c1-14(15)12-7-5-4-6-10(12)11(8-16-2)13(14)9-17-3/h4-7,15H,8-9H2,1-3H3
InChIKeyXQZVNWTYRCIOEP-UHFFFAOYSA-N
MW234.29 g/mol
LogP1.95
Rot. Bonds4

About 2,3-bis(methoxymethyl)-1-methylinden-1-ol

2,3-bis(methoxymethyl)-1-methylinden-1-ol (PubChem CID 10868225) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 2,3-bis(methoxymethyl)-1-methylinden-1-ol.

Molecular Properties

Compound Name2,3-bis(methoxymethyl)-1-methylinden-1-ol
PubChem CID10868225
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name2,3-bis(methoxymethyl)-1-methylinden-1-ol
SMILESCOCC1=C(COC)C(C)(O)c2ccccc21
InChIInChI=1S/C14H18O3/c1-14(15)12-7-5-4-6-10(12)11(8-16-2)13(14)9-17-3/h4-7,15H,8-9H2,1-3H3
InChIKeyXQZVNWTYRCIOEP-UHFFFAOYSA-N
XLogP1.95
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(methoxymethyl)-1-methylinden-1-ol?
The IUPAC name of 2,3-bis(methoxymethyl)-1-methylinden-1-ol (CID 10868225) is 2,3-bis(methoxymethyl)-1-methylinden-1-ol.
What is the SMILES notation for 2,3-bis(methoxymethyl)-1-methylinden-1-ol?
The canonical SMILES for 2,3-bis(methoxymethyl)-1-methylinden-1-ol is COCC1=C(COC)C(C)(O)c2ccccc21.
What is the InChIKey of 2,3-bis(methoxymethyl)-1-methylinden-1-ol?
The InChIKey is XQZVNWTYRCIOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-14(15)12-7-5-4-6-10(12)11(8-16-2)13(14)9-17-3/h4-7,15H,8-9H2,1-3H3.
What are the key properties of 2,3-bis(methoxymethyl)-1-methylinden-1-ol?
2,3-bis(methoxymethyl)-1-methylinden-1-ol has a molecular weight of 234.29 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(methoxymethyl)-1-methylinden-1-ol is sourced from PubChem (CID 10868225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).