7-(4-methoxyphenyl)-2,3-dihydrochromen-4-one

C16H14O3 — CID 69455047

IUPAC7-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
SMILESCOc1ccc(-c2ccc3c(c2)OCCC3=O)cc1
InChIInChI=1S/C16H14O3/c1-18-13-5-2-11(3-6-13)12-4-7-14-15(17)8-9-19-16(14)10-12/h2-7,10H,8-9H2,1H3
InChIKeyMTTOMGYYUFKECO-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.33
Rot. Bonds2

About 7-(4-methoxyphenyl)-2,3-dihydrochromen-4-one

7-(4-methoxyphenyl)-2,3-dihydrochromen-4-one (PubChem CID 69455047) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
PubChem CID69455047
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Name7-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
SMILESCOc1ccc(-c2ccc3c(c2)OCCC3=O)cc1
InChIInChI=1S/C16H14O3/c1-18-13-5-2-11(3-6-13)12-4-7-14-15(17)8-9-19-16(14)10-12/h2-7,10H,8-9H2,1H3
InChIKeyMTTOMGYYUFKECO-UHFFFAOYSA-N
XLogP3.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 7-(4-methoxyphenyl)-2,3-dihydrochromen-4-one (CID 69455047) is 7-(4-methoxyphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-(4-methoxyphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-(4-methoxyphenyl)-2,3-dihydrochromen-4-one is COc1ccc(-c2ccc3c(c2)OCCC3=O)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is MTTOMGYYUFKECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-18-13-5-2-11(3-6-13)12-4-7-14-15(17)8-9-19-16(14)10-12/h2-7,10H,8-9H2,1H3.
What are the key properties of 7-(4-methoxyphenyl)-2,3-dihydrochromen-4-one?
7-(4-methoxyphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 254.29 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 69455047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).