2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methoxy-2,3-dihydrochromen-4-one

C18H16O5 — CID 2917176

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)C(=O)CC(c1ccc3c(c1)OCCO3)O2
InChIInChI=1S/C18H16O5/c1-20-12-3-5-15-13(9-12)14(19)10-17(23-15)11-2-4-16-18(8-11)22-7-6-21-16/h2-5,8-9,17H,6-7,10H2,1H3
InChIKeyVPUHJQWPTZSKEP-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.17
Rot. Bonds2

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methoxy-2,3-dihydrochromen-4-one

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methoxy-2,3-dihydrochromen-4-one (PubChem CID 2917176) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methoxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methoxy-2,3-dihydrochromen-4-one
PubChem CID2917176
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)C(=O)CC(c1ccc3c(c1)OCCO3)O2
InChIInChI=1S/C18H16O5/c1-20-12-3-5-15-13(9-12)14(19)10-17(23-15)11-2-4-16-18(8-11)22-7-6-21-16/h2-5,8-9,17H,6-7,10H2,1H3
InChIKeyVPUHJQWPTZSKEP-UHFFFAOYSA-N
XLogP3.17
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 2922801
(2S)-2-(4-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 853029
2-(3-bromophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114673979
6-methoxy-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one
CID 114674030
(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-fluoro-2,3-dihydrochromen-4-one
CID 692769
2-(2,6-dichlorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114673789
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-[hydroxy(oxido)amino]-2,3-dihydrochromen-4-one
CID 163139277
(2S)-2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 10336604
4-[(2R)-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]benzoic acid
CID 93179406
(2R)-2-(2,3-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 688727
2-(4-fluoro-3-methylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672406
2-(2,3-difluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114673920

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methoxy-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methoxy-2,3-dihydrochromen-4-one (CID 2917176) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methoxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methoxy-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methoxy-2,3-dihydrochromen-4-one is COc1ccc2c(c1)C(=O)CC(c1ccc3c(c1)OCCO3)O2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methoxy-2,3-dihydrochromen-4-one?
The InChIKey is VPUHJQWPTZSKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5/c1-20-12-3-5-15-13(9-12)14(19)10-17(23-15)11-2-4-16-18(8-11)22-7-6-21-16/h2-5,8-9,17H,6-7,10H2,1H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methoxy-2,3-dihydrochromen-4-one?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methoxy-2,3-dihydrochromen-4-one has a molecular weight of 312.32 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methoxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 2917176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).