6-(2-ethyl-5-methylphenyl)-2,3-dihydrochromen-4-one

C18H18O2 — CID 174658677

IUPAC6-(2-ethyl-5-methylphenyl)-2,3-dihydrochromen-4-one
SMILESCCc1ccc(C)cc1-c1ccc2c(c1)C(=O)CCO2
InChIInChI=1S/C18H18O2/c1-3-13-5-4-12(2)10-15(13)14-6-7-18-16(11-14)17(19)8-9-20-18/h4-7,10-11H,3,8-9H2,1-2H3
InChIKeyNSACGEKRKWGGIZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.19
Rot. Bonds2

About 6-(2-ethyl-5-methylphenyl)-2,3-dihydrochromen-4-one

6-(2-ethyl-5-methylphenyl)-2,3-dihydrochromen-4-one (PubChem CID 174658677) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-(2-ethyl-5-methylphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-(2-ethyl-5-methylphenyl)-2,3-dihydrochromen-4-one
PubChem CID174658677
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name6-(2-ethyl-5-methylphenyl)-2,3-dihydrochromen-4-one
SMILESCCc1ccc(C)cc1-c1ccc2c(c1)C(=O)CCO2
InChIInChI=1S/C18H18O2/c1-3-13-5-4-12(2)10-15(13)14-6-7-18-16(11-14)17(19)8-9-20-18/h4-7,10-11H,3,8-9H2,1-2H3
InChIKeyNSACGEKRKWGGIZ-UHFFFAOYSA-N
XLogP4.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethyl-5-methylphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 6-(2-ethyl-5-methylphenyl)-2,3-dihydrochromen-4-one (CID 174658677) is 6-(2-ethyl-5-methylphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-(2-ethyl-5-methylphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-(2-ethyl-5-methylphenyl)-2,3-dihydrochromen-4-one is CCc1ccc(C)cc1-c1ccc2c(c1)C(=O)CCO2.
What is the InChIKey of 6-(2-ethyl-5-methylphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is NSACGEKRKWGGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-3-13-5-4-12(2)10-15(13)14-6-7-18-16(11-14)17(19)8-9-20-18/h4-7,10-11H,3,8-9H2,1-2H3.
What are the key properties of 6-(2-ethyl-5-methylphenyl)-2,3-dihydrochromen-4-one?
6-(2-ethyl-5-methylphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 266.34 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethyl-5-methylphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 174658677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).