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

C16H14O3 — CID 12588453

IUPAC2-(2-methoxyphenyl)-2,3-dihydrochromen-4-one
SMILESCOc1ccccc1C1CC(=O)c2ccccc2O1
InChIInChI=1S/C16H14O3/c1-18-14-8-4-3-7-12(14)16-10-13(17)11-6-2-5-9-15(11)19-16/h2-9,16H,10H2,1H3
InChIKeyGXWVANTXNDIBAA-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.40
Rot. Bonds2

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

2-(2-methoxyphenyl)-2,3-dihydrochromen-4-one (PubChem CID 12588453) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-2,3-dihydrochromen-4-one
PubChem CID12588453
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Name2-(2-methoxyphenyl)-2,3-dihydrochromen-4-one
SMILESCOc1ccccc1C1CC(=O)c2ccccc2O1
InChIInChI=1S/C16H14O3/c1-18-14-8-4-3-7-12(14)16-10-13(17)11-6-2-5-9-15(11)19-16/h2-9,16H,10H2,1H3
InChIKeyGXWVANTXNDIBAA-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(2-methoxyphenyl)-2,3-dihydrochromen-4-one (CID 12588453) is 2-(2-methoxyphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(2-methoxyphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(2-methoxyphenyl)-2,3-dihydrochromen-4-one is COc1ccccc1C1CC(=O)c2ccccc2O1.
What is the InChIKey of 2-(2-methoxyphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is GXWVANTXNDIBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-18-14-8-4-3-7-12(14)16-10-13(17)11-6-2-5-9-15(11)19-16/h2-9,16H,10H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-2,3-dihydrochromen-4-one?
2-(2-methoxyphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 254.29 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 12588453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).