7-methoxy-3-(2-phenylethyl)-2,3-dihydrochromen-4-one

C18H18O3 — CID 54329755

IUPAC7-methoxy-3-(2-phenylethyl)-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)OCC(CCc1ccccc1)C2=O
InChIInChI=1S/C18H18O3/c1-20-15-9-10-16-17(11-15)21-12-14(18(16)19)8-7-13-5-3-2-4-6-13/h2-6,9-11,14H,7-8,12H2,1H3
InChIKeySXMNQGNORMWVOX-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.52
Rot. Bonds4

About 7-methoxy-3-(2-phenylethyl)-2,3-dihydrochromen-4-one

7-methoxy-3-(2-phenylethyl)-2,3-dihydrochromen-4-one (PubChem CID 54329755) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 7-methoxy-3-(2-phenylethyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-methoxy-3-(2-phenylethyl)-2,3-dihydrochromen-4-one
PubChem CID54329755
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name7-methoxy-3-(2-phenylethyl)-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)OCC(CCc1ccccc1)C2=O
InChIInChI=1S/C18H18O3/c1-20-15-9-10-16-17(11-15)21-12-14(18(16)19)8-7-13-5-3-2-4-6-13/h2-6,9-11,14H,7-8,12H2,1H3
InChIKeySXMNQGNORMWVOX-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(2-phenylethyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 7-methoxy-3-(2-phenylethyl)-2,3-dihydrochromen-4-one (CID 54329755) is 7-methoxy-3-(2-phenylethyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-methoxy-3-(2-phenylethyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-methoxy-3-(2-phenylethyl)-2,3-dihydrochromen-4-one is COc1ccc2c(c1)OCC(CCc1ccccc1)C2=O.
What is the InChIKey of 7-methoxy-3-(2-phenylethyl)-2,3-dihydrochromen-4-one?
The InChIKey is SXMNQGNORMWVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-20-15-9-10-16-17(11-15)21-12-14(18(16)19)8-7-13-5-3-2-4-6-13/h2-6,9-11,14H,7-8,12H2,1H3.
What are the key properties of 7-methoxy-3-(2-phenylethyl)-2,3-dihydrochromen-4-one?
7-methoxy-3-(2-phenylethyl)-2,3-dihydrochromen-4-one has a molecular weight of 282.34 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(2-phenylethyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 54329755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).