1H-isochromen-1-ol

C9H8O2 — CID 69025900

IUPAC1H-isochromen-1-ol
SMILESOC1OC=Cc2ccccc21
InChIInChI=1S/C9H8O2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6,9-10H
InChIKeyVFYPGSAVZLVUEQ-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.68
Rot. Bonds

About 1H-isochromen-1-ol

1H-isochromen-1-ol (PubChem CID 69025900) has the molecular formula C9H8O2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 1H-isochromen-1-ol.

Molecular Properties

Compound Name1H-isochromen-1-ol
PubChem CID69025900
Molecular FormulaC9H8O2
Molecular Weight148.16 g/mol
Exact Mass148.05
IUPAC Name1H-isochromen-1-ol
SMILESOC1OC=Cc2ccccc21
InChIInChI=1S/C9H8O2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6,9-10H
InChIKeyVFYPGSAVZLVUEQ-UHFFFAOYSA-N
XLogP1.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-isochromen-1-ol?
The IUPAC name of 1H-isochromen-1-ol (CID 69025900) is 1H-isochromen-1-ol.
What is the SMILES notation for 1H-isochromen-1-ol?
The canonical SMILES for 1H-isochromen-1-ol is OC1OC=Cc2ccccc21.
What is the InChIKey of 1H-isochromen-1-ol?
The InChIKey is VFYPGSAVZLVUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6,9-10H.
What are the key properties of 1H-isochromen-1-ol?
1H-isochromen-1-ol has a molecular weight of 148.16 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-isochromen-1-ol is sourced from PubChem (CID 69025900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).