3,4-dihydro-1H-isochromen-7-ylmethanol

C10H12O2 — CID 84651874

IUPAC3,4-dihydro-1H-isochromen-7-ylmethanol
SMILESOCc1ccc2c(c1)COCC2
InChIInChI=1S/C10H12O2/c11-6-8-1-2-9-3-4-12-7-10(9)5-8/h1-2,5,11H,3-4,6-7H2
InChIKeyKDVZVWNZPXLPEP-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.25
Rot. Bonds1

About 3,4-dihydro-1H-isochromen-7-ylmethanol

3,4-dihydro-1H-isochromen-7-ylmethanol (PubChem CID 84651874) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 3,4-dihydro-1H-isochromen-7-ylmethanol.

Molecular Properties

Compound Name3,4-dihydro-1H-isochromen-7-ylmethanol
PubChem CID84651874
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name3,4-dihydro-1H-isochromen-7-ylmethanol
SMILESOCc1ccc2c(c1)COCC2
InChIInChI=1S/C10H12O2/c11-6-8-1-2-9-3-4-12-7-10(9)5-8/h1-2,5,11H,3-4,6-7H2
InChIKeyKDVZVWNZPXLPEP-UHFFFAOYSA-N
XLogP1.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isochromen-7-ylmethanol?
The IUPAC name of 3,4-dihydro-1H-isochromen-7-ylmethanol (CID 84651874) is 3,4-dihydro-1H-isochromen-7-ylmethanol.
What is the SMILES notation for 3,4-dihydro-1H-isochromen-7-ylmethanol?
The canonical SMILES for 3,4-dihydro-1H-isochromen-7-ylmethanol is OCc1ccc2c(c1)COCC2.
What is the InChIKey of 3,4-dihydro-1H-isochromen-7-ylmethanol?
The InChIKey is KDVZVWNZPXLPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c11-6-8-1-2-9-3-4-12-7-10(9)5-8/h1-2,5,11H,3-4,6-7H2.
What are the key properties of 3,4-dihydro-1H-isochromen-7-ylmethanol?
3,4-dihydro-1H-isochromen-7-ylmethanol has a molecular weight of 164.20 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isochromen-7-ylmethanol is sourced from PubChem (CID 84651874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).