6-ethyl-3-methyl-2H-chromene

C12H14O — CID 143482553

IUPAC6-ethyl-3-methyl-2H-chromene
SMILESCCc1ccc2c(c1)C=C(C)CO2
InChIInChI=1S/C12H14O/c1-3-10-4-5-12-11(7-10)6-9(2)8-13-12/h4-7H,3,8H2,1-2H3
InChIKeyJRRAJWVOZUTEEX-UHFFFAOYSA-N
MW174.24 g/mol
LogP3.04
Rot. Bonds1

About 6-ethyl-3-methyl-2H-chromene

6-ethyl-3-methyl-2H-chromene (PubChem CID 143482553) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 6-ethyl-3-methyl-2H-chromene.

Molecular Properties

Compound Name6-ethyl-3-methyl-2H-chromene
PubChem CID143482553
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name6-ethyl-3-methyl-2H-chromene
SMILESCCc1ccc2c(c1)C=C(C)CO2
InChIInChI=1S/C12H14O/c1-3-10-4-5-12-11(7-10)6-9(2)8-13-12/h4-7H,3,8H2,1-2H3
InChIKeyJRRAJWVOZUTEEX-UHFFFAOYSA-N
XLogP3.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-2H-chromene?
The IUPAC name of 6-ethyl-3-methyl-2H-chromene (CID 143482553) is 6-ethyl-3-methyl-2H-chromene.
What is the SMILES notation for 6-ethyl-3-methyl-2H-chromene?
The canonical SMILES for 6-ethyl-3-methyl-2H-chromene is CCc1ccc2c(c1)C=C(C)CO2.
What is the InChIKey of 6-ethyl-3-methyl-2H-chromene?
The InChIKey is JRRAJWVOZUTEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-3-10-4-5-12-11(7-10)6-9(2)8-13-12/h4-7H,3,8H2,1-2H3.
What are the key properties of 6-ethyl-3-methyl-2H-chromene?
6-ethyl-3-methyl-2H-chromene has a molecular weight of 174.24 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-2H-chromene is sourced from PubChem (CID 143482553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).