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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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).