5,6,7,8-tetrahydro-4H-chromene

C9H12O — CID 55297861

IUPAC5,6,7,8-tetrahydro-4H-chromene
SMILESC1=COC2=C(C1)CCCC2
InChIInChI=1S/C9H12O/c1-2-6-9-8(4-1)5-3-7-10-9/h3,7H,1-2,4-6H2
InChIKeyZXJUGAOBVOUBLB-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.75
Rot. Bonds

About 5,6,7,8-tetrahydro-4H-chromene

5,6,7,8-tetrahydro-4H-chromene (PubChem CID 55297861) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-4H-chromene.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-4H-chromene
PubChem CID55297861
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name5,6,7,8-tetrahydro-4H-chromene
SMILESC1=COC2=C(C1)CCCC2
InChIInChI=1S/C9H12O/c1-2-6-9-8(4-1)5-3-7-10-9/h3,7H,1-2,4-6H2
InChIKeyZXJUGAOBVOUBLB-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-4H-chromene?
The IUPAC name of 5,6,7,8-tetrahydro-4H-chromene (CID 55297861) is 5,6,7,8-tetrahydro-4H-chromene.
What is the SMILES notation for 5,6,7,8-tetrahydro-4H-chromene?
The canonical SMILES for 5,6,7,8-tetrahydro-4H-chromene is C1=COC2=C(C1)CCCC2.
What is the InChIKey of 5,6,7,8-tetrahydro-4H-chromene?
The InChIKey is ZXJUGAOBVOUBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-2-6-9-8(4-1)5-3-7-10-9/h3,7H,1-2,4-6H2.
What are the key properties of 5,6,7,8-tetrahydro-4H-chromene?
5,6,7,8-tetrahydro-4H-chromene has a molecular weight of 136.19 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-4H-chromene is sourced from PubChem (CID 55297861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).