3-methyl-3,4-dihydro-1H-isochromen-5-ol

C10H12O2 — CID 138550787

IUPAC3-methyl-3,4-dihydro-1H-isochromen-5-ol
SMILESCC1Cc2c(O)cccc2CO1
InChIInChI=1S/C10H12O2/c1-7-5-9-8(6-12-7)3-2-4-10(9)11/h2-4,7,11H,5-6H2,1H3
InChIKeyPXQKYPKIFBPJKK-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.85
Rot. Bonds

About 3-methyl-3,4-dihydro-1H-isochromen-5-ol

3-methyl-3,4-dihydro-1H-isochromen-5-ol (PubChem CID 138550787) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 3-methyl-3,4-dihydro-1H-isochromen-5-ol.

Molecular Properties

Compound Name3-methyl-3,4-dihydro-1H-isochromen-5-ol
PubChem CID138550787
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name3-methyl-3,4-dihydro-1H-isochromen-5-ol
SMILESCC1Cc2c(O)cccc2CO1
InChIInChI=1S/C10H12O2/c1-7-5-9-8(6-12-7)3-2-4-10(9)11/h2-4,7,11H,5-6H2,1H3
InChIKeyPXQKYPKIFBPJKK-UHFFFAOYSA-N
XLogP1.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,4-dihydro-1H-isochromen-5-ol?
The IUPAC name of 3-methyl-3,4-dihydro-1H-isochromen-5-ol (CID 138550787) is 3-methyl-3,4-dihydro-1H-isochromen-5-ol.
What is the SMILES notation for 3-methyl-3,4-dihydro-1H-isochromen-5-ol?
The canonical SMILES for 3-methyl-3,4-dihydro-1H-isochromen-5-ol is CC1Cc2c(O)cccc2CO1.
What is the InChIKey of 3-methyl-3,4-dihydro-1H-isochromen-5-ol?
The InChIKey is PXQKYPKIFBPJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-7-5-9-8(6-12-7)3-2-4-10(9)11/h2-4,7,11H,5-6H2,1H3.
What are the key properties of 3-methyl-3,4-dihydro-1H-isochromen-5-ol?
3-methyl-3,4-dihydro-1H-isochromen-5-ol has a molecular weight of 164.20 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,4-dihydro-1H-isochromen-5-ol is sourced from PubChem (CID 138550787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).