(2R)-2-(2,3-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one

C18H18O5 — CID 688727

IUPAC(2R)-2-(2,3-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)C(=O)C[C@H](c1cccc(OC)c1OC)O2
InChIInChI=1S/C18H18O5/c1-20-11-7-8-15-13(9-11)14(19)10-17(23-15)12-5-4-6-16(21-2)18(12)22-3/h4-9,17H,10H2,1-3H3/t17-/m1/s1
InChIKeyVCOXKEDHNTZBAP-QGZVFWFLSA-N
MW314.34 g/mol
LogP3.42
Rot. Bonds4

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

(2R)-2-(2,3-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one (PubChem CID 688727) has the molecular formula C18H18O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is (2R)-2-(2,3-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2R)-2-(2,3-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
PubChem CID688727
Molecular FormulaC18H18O5
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name(2R)-2-(2,3-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)C(=O)C[C@H](c1cccc(OC)c1OC)O2
InChIInChI=1S/C18H18O5/c1-20-11-7-8-15-13(9-11)14(19)10-17(23-15)12-5-4-6-16(21-2)18(12)22-3/h4-9,17H,10H2,1-3H3/t17-/m1/s1
InChIKeyVCOXKEDHNTZBAP-QGZVFWFLSA-N
XLogP3.42
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-difluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114673920
7-amino-2-(2,3-dimethoxyphenyl)-2,3-dihydrochromen-4-one
CID 82046281
2-(2,3-dimethoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 85087212
2-(2,6-dichlorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114673789
2-(3,4-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 2922801
2-(3-bromophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114673979
2-(4-bromo-2-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114673847
(2S)-2-(4-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 853029
2-(2,3-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672549
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methoxy-2,3-dihydrochromen-4-one
CID 2917176
2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114674062
6-methoxy-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one
CID 114674030

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one?
The IUPAC name of (2R)-2-(2,3-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one (CID 688727) is (2R)-2-(2,3-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2R)-2-(2,3-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one?
The canonical SMILES for (2R)-2-(2,3-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one is COc1ccc2c(c1)C(=O)C[C@H](c1cccc(OC)c1OC)O2.
What is the InChIKey of (2R)-2-(2,3-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one?
The InChIKey is VCOXKEDHNTZBAP-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18O5/c1-20-11-7-8-15-13(9-11)14(19)10-17(23-15)12-5-4-6-16(21-2)18(12)22-3/h4-9,17H,10H2,1-3H3/t17-/m1/s1.
What are the key properties of (2R)-2-(2,3-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one?
(2R)-2-(2,3-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one has a molecular weight of 314.34 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 688727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).