2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromene

C19H22O5 — CID 13045742

IUPAC2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromene
SMILESCOc1cc(OC)c2c(c1)OC(c1ccc(OC)c(OC)c1)CC2
InChIInChI=1S/C19H22O5/c1-20-13-10-17(22-3)14-6-8-15(24-18(14)11-13)12-5-7-16(21-2)19(9-12)23-4/h5,7,9-11,15H,6,8H2,1-4H3
InChIKeyHXXUEAPICUTIKV-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.79
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromene

2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromene (PubChem CID 13045742) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromene
PubChem CID13045742
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromene
SMILESCOc1cc(OC)c2c(c1)OC(c1ccc(OC)c(OC)c1)CC2
InChIInChI=1S/C19H22O5/c1-20-13-10-17(22-3)14-6-8-15(24-18(14)11-13)12-5-7-16(21-2)19(9-12)23-4/h5,7,9-11,15H,6,8H2,1-4H3
InChIKeyHXXUEAPICUTIKV-UHFFFAOYSA-N
XLogP3.79
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[5-[(2R)-5,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyphenoxy]acetate
CID 90388104
2-(3,4-dimethoxyphenyl)-6,8-dimethoxy-2,3-dihydro-1,5-benzodioxepin-4-one
CID 10872101
2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-methyl-3,4-dihydro-2H-chromene
CID 22094936
(3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol
CID 102352404
(2R)-5,7-dibutoxy-2-(3,4-dibutoxyphenyl)-3,4-dihydro-2H-chromene
CID 70319763
2,5-bis(3,4-dimethoxyphenyl)oxolane
CID 13491508
2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol
CID 25232840
2-(3,4-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 2922801
4-(7-methoxy-3,4-dihydro-2H-chromen-2-yl)benzene-1,2-diol
CID 14157885
2-[(1R)-1-[(2S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-8-yl]-3-phenylpropyl]phenol
CID 10626277
4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene
CID 71406141
(2S,3S)-2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-2,3-dihydrochromen-4-one
CID 23270520

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromene?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromene (CID 13045742) is 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromene.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromene?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromene is COc1cc(OC)c2c(c1)OC(c1ccc(OC)c(OC)c1)CC2.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromene?
The InChIKey is HXXUEAPICUTIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O5/c1-20-13-10-17(22-3)14-6-8-15(24-18(14)11-13)12-5-7-16(21-2)19(9-12)23-4/h5,7,9-11,15H,6,8H2,1-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromene?
2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromene has a molecular weight of 330.38 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromene is sourced from PubChem (CID 13045742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).