[2,2-bis(methoxymethyl)-1,3-dihydroinden-5-yl]methanol

C14H20O3 — CID 11557723

IUPAC[2,2-bis(methoxymethyl)-1,3-dihydroinden-5-yl]methanol
SMILESCOCC1(COC)Cc2ccc(CO)cc2C1
InChIInChI=1S/C14H20O3/c1-16-9-14(10-17-2)6-12-4-3-11(8-15)5-13(12)7-14/h3-5,15H,6-10H2,1-2H3
InChIKeyWTTQXSFGBLEROU-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.56
Rot. Bonds5

About [2,2-bis(methoxymethyl)-1,3-dihydroinden-5-yl]methanol

[2,2-bis(methoxymethyl)-1,3-dihydroinden-5-yl]methanol (PubChem CID 11557723) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is [2,2-bis(methoxymethyl)-1,3-dihydroinden-5-yl]methanol.

Molecular Properties

Compound Name[2,2-bis(methoxymethyl)-1,3-dihydroinden-5-yl]methanol
PubChem CID11557723
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name[2,2-bis(methoxymethyl)-1,3-dihydroinden-5-yl]methanol
SMILESCOCC1(COC)Cc2ccc(CO)cc2C1
InChIInChI=1S/C14H20O3/c1-16-9-14(10-17-2)6-12-4-3-11(8-15)5-13(12)7-14/h3-5,15H,6-10H2,1-2H3
InChIKeyWTTQXSFGBLEROU-UHFFFAOYSA-N
XLogP1.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2,2-bis(methoxymethyl)-1,3-dihydroinden-5-yl]methanol?
The IUPAC name of [2,2-bis(methoxymethyl)-1,3-dihydroinden-5-yl]methanol (CID 11557723) is [2,2-bis(methoxymethyl)-1,3-dihydroinden-5-yl]methanol.
What is the SMILES notation for [2,2-bis(methoxymethyl)-1,3-dihydroinden-5-yl]methanol?
The canonical SMILES for [2,2-bis(methoxymethyl)-1,3-dihydroinden-5-yl]methanol is COCC1(COC)Cc2ccc(CO)cc2C1.
What is the InChIKey of [2,2-bis(methoxymethyl)-1,3-dihydroinden-5-yl]methanol?
The InChIKey is WTTQXSFGBLEROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-16-9-14(10-17-2)6-12-4-3-11(8-15)5-13(12)7-14/h3-5,15H,6-10H2,1-2H3.
What are the key properties of [2,2-bis(methoxymethyl)-1,3-dihydroinden-5-yl]methanol?
[2,2-bis(methoxymethyl)-1,3-dihydroinden-5-yl]methanol has a molecular weight of 236.31 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-bis(methoxymethyl)-1,3-dihydroinden-5-yl]methanol is sourced from PubChem (CID 11557723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).