2-methyl-3,4,4a,5-tetrahydro-2H-chromene

C10H14O — CID 22995355

IUPAC2-methyl-3,4,4a,5-tetrahydro-2H-chromene
SMILESCC1CCC2CC=CC=C2O1
InChIInChI=1S/C10H14O/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-3,5,8-9H,4,6-7H2,1H3
InChIKeyAFVPMPMMFPBBOS-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.65
Rot. Bonds

About 2-methyl-3,4,4a,5-tetrahydro-2H-chromene

2-methyl-3,4,4a,5-tetrahydro-2H-chromene (PubChem CID 22995355) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-methyl-3,4,4a,5-tetrahydro-2H-chromene.

Molecular Properties

Compound Name2-methyl-3,4,4a,5-tetrahydro-2H-chromene
PubChem CID22995355
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name2-methyl-3,4,4a,5-tetrahydro-2H-chromene
SMILESCC1CCC2CC=CC=C2O1
InChIInChI=1S/C10H14O/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-3,5,8-9H,4,6-7H2,1H3
InChIKeyAFVPMPMMFPBBOS-UHFFFAOYSA-N
XLogP2.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4,4a,5-tetrahydro-2H-chromene?
The IUPAC name of 2-methyl-3,4,4a,5-tetrahydro-2H-chromene (CID 22995355) is 2-methyl-3,4,4a,5-tetrahydro-2H-chromene.
What is the SMILES notation for 2-methyl-3,4,4a,5-tetrahydro-2H-chromene?
The canonical SMILES for 2-methyl-3,4,4a,5-tetrahydro-2H-chromene is CC1CCC2CC=CC=C2O1.
What is the InChIKey of 2-methyl-3,4,4a,5-tetrahydro-2H-chromene?
The InChIKey is AFVPMPMMFPBBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-3,5,8-9H,4,6-7H2,1H3.
What are the key properties of 2-methyl-3,4,4a,5-tetrahydro-2H-chromene?
2-methyl-3,4,4a,5-tetrahydro-2H-chromene has a molecular weight of 150.22 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4,4a,5-tetrahydro-2H-chromene is sourced from PubChem (CID 22995355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).