5,7-dimethoxy-3,4-dihydro-2H-chromene;2-methoxybenzoic acid

C19H22O6 — CID 144528201

IUPAC5,7-dimethoxy-3,4-dihydro-2H-chromene;2-methoxybenzoic acid
SMILESCOc1cc(OC)c2c(c1)OCCC2.COc1ccccc1C(=O)O
InChIInChI=1S/C11H14O3.C8H8O3/c1-12-8-6-10(13-2)9-4-3-5-14-11(9)7-8;1-11-7-5-3-2-4-6(7)8(9)10/h6-7H,3-5H2,1-2H3;2-5H,1H3,(H,9,10)
InChIKeyWAYGDUMPNFAXPA-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.42
Rot. Bonds4

About 5,7-dimethoxy-3,4-dihydro-2H-chromene;2-methoxybenzoic acid

5,7-dimethoxy-3,4-dihydro-2H-chromene;2-methoxybenzoic acid (PubChem CID 144528201) has the molecular formula C19H22O6 and a molecular weight of 346.38 g/mol. Its IUPAC name is 5,7-dimethoxy-3,4-dihydro-2H-chromene;2-methoxybenzoic acid.

Molecular Properties

Compound Name5,7-dimethoxy-3,4-dihydro-2H-chromene;2-methoxybenzoic acid
PubChem CID144528201
Molecular FormulaC19H22O6
Molecular Weight346.38 g/mol
Exact Mass346.14
IUPAC Name5,7-dimethoxy-3,4-dihydro-2H-chromene;2-methoxybenzoic acid
SMILESCOc1cc(OC)c2c(c1)OCCC2.COc1ccccc1C(=O)O
InChIInChI=1S/C11H14O3.C8H8O3/c1-12-8-6-10(13-2)9-4-3-5-14-11(9)7-8;1-11-7-5-3-2-4-6(7)8(9)10/h6-7H,3-5H2,1-2H3;2-5H,1H3,(H,9,10)
InChIKeyWAYGDUMPNFAXPA-UHFFFAOYSA-N
XLogP3.42
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 5280961
Octabenzone
CID 15797
Apigenin
CID 5280443
2-Hydroxy-4-methoxybenzophenone
CID 4632
Fluorescein
CID 16850
Naringenin
CID 439246
Formononetin
CID 5280378
Kaempferol
CID 5280863
Daidzein
CID 5281708
Chrysin
CID 5281607
Ipriflavone
CID 3747
Disodium Cromoglycate
CID 27503

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-3,4-dihydro-2H-chromene;2-methoxybenzoic acid?
The IUPAC name of 5,7-dimethoxy-3,4-dihydro-2H-chromene;2-methoxybenzoic acid (CID 144528201) is 5,7-dimethoxy-3,4-dihydro-2H-chromene;2-methoxybenzoic acid.
What is the SMILES notation for 5,7-dimethoxy-3,4-dihydro-2H-chromene;2-methoxybenzoic acid?
The canonical SMILES for 5,7-dimethoxy-3,4-dihydro-2H-chromene;2-methoxybenzoic acid is COc1cc(OC)c2c(c1)OCCC2.COc1ccccc1C(=O)O.
What is the InChIKey of 5,7-dimethoxy-3,4-dihydro-2H-chromene;2-methoxybenzoic acid?
The InChIKey is WAYGDUMPNFAXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3.C8H8O3/c1-12-8-6-10(13-2)9-4-3-5-14-11(9)7-8;1-11-7-5-3-2-4-6(7)8(9)10/h6-7H,3-5H2,1-2H3;2-5H,1H3,(H,9,10).
What are the key properties of 5,7-dimethoxy-3,4-dihydro-2H-chromene;2-methoxybenzoic acid?
5,7-dimethoxy-3,4-dihydro-2H-chromene;2-methoxybenzoic acid has a molecular weight of 346.38 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-3,4-dihydro-2H-chromene;2-methoxybenzoic acid is sourced from PubChem (CID 144528201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).