8aH-chromene

C9H8O — CID 18378161

IUPAC8aH-chromene
SMILESC1=COC2C=CC=CC2=C1
InChIInChI=1S/C9H8O/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7,9H
InChIKeyZOEGTCHMBZBJPL-UHFFFAOYSA-N
MW132.16 g/mol
LogP1.95
Rot. Bonds

About 8aH-chromene

8aH-chromene (PubChem CID 18378161) has the molecular formula C9H8O and a molecular weight of 132.16 g/mol. Its IUPAC name is 8aH-chromene.

Molecular Properties

Compound Name8aH-chromene
PubChem CID18378161
Molecular FormulaC9H8O
Molecular Weight132.16 g/mol
Exact Mass132.06
IUPAC Name8aH-chromene
SMILESC1=COC2C=CC=CC2=C1
InChIInChI=1S/C9H8O/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7,9H
InChIKeyZOEGTCHMBZBJPL-UHFFFAOYSA-N
XLogP1.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Dimethylpyran
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5,7-Dihydropyrano[4,3-b]pyran
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Fluoreno[1,2-b]pyran
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(1Z)-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,9,11,13,15-heptaene
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CID 87131369
Dihydrodibenz[b,e]-oxepine
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Frequently Asked Questions

What is the IUPAC name of 8aH-chromene?
The IUPAC name of 8aH-chromene (CID 18378161) is 8aH-chromene.
What is the SMILES notation for 8aH-chromene?
The canonical SMILES for 8aH-chromene is C1=COC2C=CC=CC2=C1.
What is the InChIKey of 8aH-chromene?
The InChIKey is ZOEGTCHMBZBJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7,9H.
What are the key properties of 8aH-chromene?
8aH-chromene has a molecular weight of 132.16 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8aH-chromene is sourced from PubChem (CID 18378161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).