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

C18H18O3 — CID 118728772

IUPAC2-(2-propoxyphenyl)-2,3-dihydrochromen-4-one
SMILESCCCOc1ccccc1C1CC(=O)c2ccccc2O1
InChIInChI=1S/C18H18O3/c1-2-11-20-16-9-5-4-8-14(16)18-12-15(19)13-7-3-6-10-17(13)21-18/h3-10,18H,2,11-12H2,1H3
InChIKeyGQKZYZQYGHSVSN-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.18
Rot. Bonds4

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

2-(2-propoxyphenyl)-2,3-dihydrochromen-4-one (PubChem CID 118728772) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-(2-propoxyphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(2-propoxyphenyl)-2,3-dihydrochromen-4-one
PubChem CID118728772
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name2-(2-propoxyphenyl)-2,3-dihydrochromen-4-one
SMILESCCCOc1ccccc1C1CC(=O)c2ccccc2O1
InChIInChI=1S/C18H18O3/c1-2-11-20-16-9-5-4-8-14(16)18-12-15(19)13-7-3-6-10-17(13)21-18/h3-10,18H,2,11-12H2,1H3
InChIKeyGQKZYZQYGHSVSN-UHFFFAOYSA-N
XLogP4.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propoxyphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(2-propoxyphenyl)-2,3-dihydrochromen-4-one (CID 118728772) is 2-(2-propoxyphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(2-propoxyphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(2-propoxyphenyl)-2,3-dihydrochromen-4-one is CCCOc1ccccc1C1CC(=O)c2ccccc2O1.
What is the InChIKey of 2-(2-propoxyphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is GQKZYZQYGHSVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-2-11-20-16-9-5-4-8-14(16)18-12-15(19)13-7-3-6-10-17(13)21-18/h3-10,18H,2,11-12H2,1H3.
What are the key properties of 2-(2-propoxyphenyl)-2,3-dihydrochromen-4-one?
2-(2-propoxyphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 282.34 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propoxyphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 118728772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).