(1R,3E)-1-(hydroxymethyl)-5-methyl-3-(2-methylpropylidene)-2H-inden-1-ol

C15H20O2 — CID 90682924

IUPAC(1R,3E)-1-(hydroxymethyl)-5-methyl-3-(2-methylpropylidene)-2H-inden-1-ol
SMILESCc1ccc2c(c1)/C(=C/C(C)C)C[C@]2(O)CO
InChIInChI=1S/C15H20O2/c1-10(2)6-12-8-15(17,9-16)14-5-4-11(3)7-13(12)14/h4-7,10,16-17H,8-9H2,1-3H3/b12-6+/t15-/m0/s1
InChIKeyAKXHNODNODMVJN-MFMIUCCHSA-N
MW232.32 g/mol
LogP2.62
Rot. Bonds2

About (1R,3E)-1-(hydroxymethyl)-5-methyl-3-(2-methylpropylidene)-2H-inden-1-ol

(1R,3E)-1-(hydroxymethyl)-5-methyl-3-(2-methylpropylidene)-2H-inden-1-ol (PubChem CID 90682924) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (1R,3E)-1-(hydroxymethyl)-5-methyl-3-(2-methylpropylidene)-2H-inden-1-ol.

Molecular Properties

Compound Name(1R,3E)-1-(hydroxymethyl)-5-methyl-3-(2-methylpropylidene)-2H-inden-1-ol
PubChem CID90682924
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(1R,3E)-1-(hydroxymethyl)-5-methyl-3-(2-methylpropylidene)-2H-inden-1-ol
SMILESCc1ccc2c(c1)/C(=C/C(C)C)C[C@]2(O)CO
InChIInChI=1S/C15H20O2/c1-10(2)6-12-8-15(17,9-16)14-5-4-11(3)7-13(12)14/h4-7,10,16-17H,8-9H2,1-3H3/b12-6+/t15-/m0/s1
InChIKeyAKXHNODNODMVJN-MFMIUCCHSA-N
XLogP2.62
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,3E)-1-(hydroxymethyl)-5-methyl-3-(2-methylpropylidene)-2H-inden-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,3E)-1-(hydroxymethyl)-5-methyl-3-(2-methylpropylidene)-2H-inden-1-ol?
The IUPAC name of (1R,3E)-1-(hydroxymethyl)-5-methyl-3-(2-methylpropylidene)-2H-inden-1-ol (CID 90682924) is (1R,3E)-1-(hydroxymethyl)-5-methyl-3-(2-methylpropylidene)-2H-inden-1-ol.
What is the SMILES notation for (1R,3E)-1-(hydroxymethyl)-5-methyl-3-(2-methylpropylidene)-2H-inden-1-ol?
The canonical SMILES for (1R,3E)-1-(hydroxymethyl)-5-methyl-3-(2-methylpropylidene)-2H-inden-1-ol is Cc1ccc2c(c1)/C(=C/C(C)C)C[C@]2(O)CO.
What is the InChIKey of (1R,3E)-1-(hydroxymethyl)-5-methyl-3-(2-methylpropylidene)-2H-inden-1-ol?
The InChIKey is AKXHNODNODMVJN-MFMIUCCHSA-N. The full InChI is InChI=1S/C15H20O2/c1-10(2)6-12-8-15(17,9-16)14-5-4-11(3)7-13(12)14/h4-7,10,16-17H,8-9H2,1-3H3/b12-6+/t15-/m0/s1.
What are the key properties of (1R,3E)-1-(hydroxymethyl)-5-methyl-3-(2-methylpropylidene)-2H-inden-1-ol?
(1R,3E)-1-(hydroxymethyl)-5-methyl-3-(2-methylpropylidene)-2H-inden-1-ol has a molecular weight of 232.32 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3E)-1-(hydroxymethyl)-5-methyl-3-(2-methylpropylidene)-2H-inden-1-ol is sourced from PubChem (CID 90682924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).