2,5-dihydrocyclohepta[b]pyran-4-ol

C10H10O2 — CID 129245150

IUPAC2,5-dihydrocyclohepta[b]pyran-4-ol
SMILESOC1=CCOC2=C1CC=CC=C2
InChIInChI=1S/C10H10O2/c11-9-6-7-12-10-5-3-1-2-4-8(9)10/h1-3,5-6,11H,4,7H2
InChIKeyXQHBKCWBFBIQLB-UHFFFAOYSA-N
MW162.19 g/mol
LogP2.23
Rot. Bonds

About 2,5-dihydrocyclohepta[b]pyran-4-ol

2,5-dihydrocyclohepta[b]pyran-4-ol (PubChem CID 129245150) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 2,5-dihydrocyclohepta[b]pyran-4-ol.

Molecular Properties

Compound Name2,5-dihydrocyclohepta[b]pyran-4-ol
PubChem CID129245150
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name2,5-dihydrocyclohepta[b]pyran-4-ol
SMILESOC1=CCOC2=C1CC=CC=C2
InChIInChI=1S/C10H10O2/c11-9-6-7-12-10-5-3-1-2-4-8(9)10/h1-3,5-6,11H,4,7H2
InChIKeyXQHBKCWBFBIQLB-UHFFFAOYSA-N
XLogP2.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydrocyclohepta[b]pyran-4-ol?
The IUPAC name of 2,5-dihydrocyclohepta[b]pyran-4-ol (CID 129245150) is 2,5-dihydrocyclohepta[b]pyran-4-ol.
What is the SMILES notation for 2,5-dihydrocyclohepta[b]pyran-4-ol?
The canonical SMILES for 2,5-dihydrocyclohepta[b]pyran-4-ol is OC1=CCOC2=C1CC=CC=C2.
What is the InChIKey of 2,5-dihydrocyclohepta[b]pyran-4-ol?
The InChIKey is XQHBKCWBFBIQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c11-9-6-7-12-10-5-3-1-2-4-8(9)10/h1-3,5-6,11H,4,7H2.
What are the key properties of 2,5-dihydrocyclohepta[b]pyran-4-ol?
2,5-dihydrocyclohepta[b]pyran-4-ol has a molecular weight of 162.19 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydrocyclohepta[b]pyran-4-ol is sourced from PubChem (CID 129245150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).