1-methyl-3,4,6,7-tetrahydro-1H-isochromen-7-ol

C10H14O2 — CID 170706324

IUPAC1-methyl-3,4,6,7-tetrahydro-1H-isochromen-7-ol
SMILESCC1OCCC2=CCC(O)C=C21
InChIInChI=1S/C10H14O2/c1-7-10-6-9(11)3-2-8(10)4-5-12-7/h2,6-7,9,11H,3-5H2,1H3
InChIKeyALAFWUDNYKWKTL-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.41
Rot. Bonds

About 1-methyl-3,4,6,7-tetrahydro-1H-isochromen-7-ol

1-methyl-3,4,6,7-tetrahydro-1H-isochromen-7-ol (PubChem CID 170706324) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-methyl-3,4,6,7-tetrahydro-1H-isochromen-7-ol.

Molecular Properties

Compound Name1-methyl-3,4,6,7-tetrahydro-1H-isochromen-7-ol
PubChem CID170706324
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1-methyl-3,4,6,7-tetrahydro-1H-isochromen-7-ol
SMILESCC1OCCC2=CCC(O)C=C21
InChIInChI=1S/C10H14O2/c1-7-10-6-9(11)3-2-8(10)4-5-12-7/h2,6-7,9,11H,3-5H2,1H3
InChIKeyALAFWUDNYKWKTL-UHFFFAOYSA-N
XLogP1.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methyl-3,4,6,7-tetrahydro-1H-isochromen-7-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 1-methyl-3,4,6,7-tetrahydro-1H-isochromen-7-ol?
The IUPAC name of 1-methyl-3,4,6,7-tetrahydro-1H-isochromen-7-ol (CID 170706324) is 1-methyl-3,4,6,7-tetrahydro-1H-isochromen-7-ol.
What is the SMILES notation for 1-methyl-3,4,6,7-tetrahydro-1H-isochromen-7-ol?
The canonical SMILES for 1-methyl-3,4,6,7-tetrahydro-1H-isochromen-7-ol is CC1OCCC2=CCC(O)C=C21.
What is the InChIKey of 1-methyl-3,4,6,7-tetrahydro-1H-isochromen-7-ol?
The InChIKey is ALAFWUDNYKWKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-7-10-6-9(11)3-2-8(10)4-5-12-7/h2,6-7,9,11H,3-5H2,1H3.
What are the key properties of 1-methyl-3,4,6,7-tetrahydro-1H-isochromen-7-ol?
1-methyl-3,4,6,7-tetrahydro-1H-isochromen-7-ol has a molecular weight of 166.22 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,4,6,7-tetrahydro-1H-isochromen-7-ol is sourced from PubChem (CID 170706324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).