7-methoxy-2-(1-phenylethyl)-2,3-dihydrochromen-4-one

C18H18O3 — CID 114672307

IUPAC7-methoxy-2-(1-phenylethyl)-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)OC(C(C)c1ccccc1)CC2=O
InChIInChI=1S/C18H18O3/c1-12(13-6-4-3-5-7-13)17-11-16(19)15-9-8-14(20-2)10-18(15)21-17/h3-10,12,17H,11H2,1-2H3
InChIKeyYAKHWUXCWCGUNB-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.83
Rot. Bonds3

About 7-methoxy-2-(1-phenylethyl)-2,3-dihydrochromen-4-one

7-methoxy-2-(1-phenylethyl)-2,3-dihydrochromen-4-one (PubChem CID 114672307) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 7-methoxy-2-(1-phenylethyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-methoxy-2-(1-phenylethyl)-2,3-dihydrochromen-4-one
PubChem CID114672307
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name7-methoxy-2-(1-phenylethyl)-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)OC(C(C)c1ccccc1)CC2=O
InChIInChI=1S/C18H18O3/c1-12(13-6-4-3-5-7-13)17-11-16(19)15-9-8-14(20-2)10-18(15)21-17/h3-10,12,17H,11H2,1-2H3
InChIKeyYAKHWUXCWCGUNB-UHFFFAOYSA-N
XLogP3.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-butan-2-yl-7-methoxy-2,3-dihydrochromen-4-one
CID 23465807
(2S)-7-methoxy-2-methyl-2,3-dihydrochromen-4-one
CID 40595579
2-(3,5-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672605
2-(3-bromophenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672505
2-(2,3-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672549
4-[(2R)-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]benzoic acid
CID 93179406
methyl (2R)-7-methoxy-4-oxo-2,3-dihydrochromene-2-carboxylate
CID 142736946
2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 73299305
(2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 16655803
6-methoxy-1-benzofuran-3-one
CID 585368
7-methoxy-3'-phenylspiro[2H-chromene-3,2'-oxirane]-4-one
CID 3044476
2-(4,5-dibromothiophen-2-yl)-7-methoxy-2,3-dihydrochromen-4-one
CID 102846041

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(1-phenylethyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 7-methoxy-2-(1-phenylethyl)-2,3-dihydrochromen-4-one (CID 114672307) is 7-methoxy-2-(1-phenylethyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-methoxy-2-(1-phenylethyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-methoxy-2-(1-phenylethyl)-2,3-dihydrochromen-4-one is COc1ccc2c(c1)OC(C(C)c1ccccc1)CC2=O.
What is the InChIKey of 7-methoxy-2-(1-phenylethyl)-2,3-dihydrochromen-4-one?
The InChIKey is YAKHWUXCWCGUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-12(13-6-4-3-5-7-13)17-11-16(19)15-9-8-14(20-2)10-18(15)21-17/h3-10,12,17H,11H2,1-2H3.
What are the key properties of 7-methoxy-2-(1-phenylethyl)-2,3-dihydrochromen-4-one?
7-methoxy-2-(1-phenylethyl)-2,3-dihydrochromen-4-one has a molecular weight of 282.34 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(1-phenylethyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 114672307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).