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

C18H18O3 — CID 114673944

IUPAC6-methoxy-2-(2-phenylethyl)-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)C(=O)CC(CCc1ccccc1)O2
InChIInChI=1S/C18H18O3/c1-20-14-9-10-18-16(11-14)17(19)12-15(21-18)8-7-13-5-3-2-4-6-13/h2-6,9-11,15H,7-8,12H2,1H3
InChIKeyZNGQZIVLPNNZNJ-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.66
Rot. Bonds4

About 6-methoxy-2-(2-phenylethyl)-2,3-dihydrochromen-4-one

6-methoxy-2-(2-phenylethyl)-2,3-dihydrochromen-4-one (PubChem CID 114673944) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 6-methoxy-2-(2-phenylethyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-methoxy-2-(2-phenylethyl)-2,3-dihydrochromen-4-one
PubChem CID114673944
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name6-methoxy-2-(2-phenylethyl)-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)C(=O)CC(CCc1ccccc1)O2
InChIInChI=1S/C18H18O3/c1-20-14-9-10-18-16(11-14)17(19)12-15(21-18)8-7-13-5-3-2-4-6-13/h2-6,9-11,15H,7-8,12H2,1H3
InChIKeyZNGQZIVLPNNZNJ-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-3-(2-phenylethyl)-2,3-dihydrochromen-4-one
CID 54329755
4-methoxy-5-methyl-2-(2-phenylethyl)-2,3-dihydropyran-6-one
CID 122677486
6-methoxy-4-phenyl-2-(2-phenylethyl)-4H-1,3-benzodioxine
CID 102077286
2-(2,6-dichlorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114673789
4-oxo-2-(2-phenylethyl)-2,3-dihydrochromene-8-carboxylic acid
CID 139898972
(2R)-2-(2,3-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 688727
2-(3-bromophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114673979
(2S)-2-(4-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 853029
2-benzyl-2,3-dihydrochromen-4-one
CID 14773508
ethyl 2-(7-methoxy-4-oxo-2,3-dihydrochromen-2-yl)acetate
CID 101494376
2-(2,3-difluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114673920
2-(3,4-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 2922801

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(2-phenylethyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 6-methoxy-2-(2-phenylethyl)-2,3-dihydrochromen-4-one (CID 114673944) is 6-methoxy-2-(2-phenylethyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-methoxy-2-(2-phenylethyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-methoxy-2-(2-phenylethyl)-2,3-dihydrochromen-4-one is COc1ccc2c(c1)C(=O)CC(CCc1ccccc1)O2.
What is the InChIKey of 6-methoxy-2-(2-phenylethyl)-2,3-dihydrochromen-4-one?
The InChIKey is ZNGQZIVLPNNZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-20-14-9-10-18-16(11-14)17(19)12-15(21-18)8-7-13-5-3-2-4-6-13/h2-6,9-11,15H,7-8,12H2,1H3.
What are the key properties of 6-methoxy-2-(2-phenylethyl)-2,3-dihydrochromen-4-one?
6-methoxy-2-(2-phenylethyl)-2,3-dihydrochromen-4-one has a molecular weight of 282.34 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(2-phenylethyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 114673944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).