cyclohepta[b]pyran-2-ol

C10H8O2 — CID 175200634

IUPACcyclohepta[b]pyran-2-ol
SMILESOC1=CC=C2C=CC=CC=C2O1
InChIInChI=1S/C10H8O2/c11-10-7-6-8-4-2-1-3-5-9(8)12-10/h1-7,11H
InChIKeyNKTFQMXCLBTLGU-UHFFFAOYSA-N
MW160.17 g/mol
LogP2.35
Rot. Bonds

About cyclohepta[b]pyran-2-ol

cyclohepta[b]pyran-2-ol (PubChem CID 175200634) has the molecular formula C10H8O2 and a molecular weight of 160.17 g/mol. Its IUPAC name is cyclohepta[b]pyran-2-ol.

Molecular Properties

Compound Namecyclohepta[b]pyran-2-ol
PubChem CID175200634
Molecular FormulaC10H8O2
Molecular Weight160.17 g/mol
Exact Mass160.05
IUPAC Namecyclohepta[b]pyran-2-ol
SMILESOC1=CC=C2C=CC=CC=C2O1
InChIInChI=1S/C10H8O2/c11-10-7-6-8-4-2-1-3-5-9(8)12-10/h1-7,11H
InChIKeyNKTFQMXCLBTLGU-UHFFFAOYSA-N
XLogP2.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohepta[b]pyran-2-ol?
The IUPAC name of cyclohepta[b]pyran-2-ol (CID 175200634) is cyclohepta[b]pyran-2-ol.
What is the SMILES notation for cyclohepta[b]pyran-2-ol?
The canonical SMILES for cyclohepta[b]pyran-2-ol is OC1=CC=C2C=CC=CC=C2O1.
What is the InChIKey of cyclohepta[b]pyran-2-ol?
The InChIKey is NKTFQMXCLBTLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2/c11-10-7-6-8-4-2-1-3-5-9(8)12-10/h1-7,11H.
What are the key properties of cyclohepta[b]pyran-2-ol?
cyclohepta[b]pyran-2-ol has a molecular weight of 160.17 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta[b]pyran-2-ol is sourced from PubChem (CID 175200634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).