7-(3,5,6-trimethylcyclohexa-1,5-dien-1-yl)oxy-2H-chromene-3-carboxylic acid

C19H20O4 — CID 142947242

IUPAC7-(3,5,6-trimethylcyclohexa-1,5-dien-1-yl)oxy-2H-chromene-3-carboxylic acid
SMILESCC1=C(C)C(Oc2ccc3c(c2)OCC(C(=O)O)=C3)=CC(C)C1
InChIInChI=1S/C19H20O4/c1-11-6-12(2)13(3)17(7-11)23-16-5-4-14-8-15(19(20)21)10-22-18(14)9-16/h4-5,7-9,11H,6,10H2,1-3H3,(H,20,21)
InChIKeyCWQWHXSELOCKDJ-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.19
Rot. Bonds3

About 7-(3,5,6-trimethylcyclohexa-1,5-dien-1-yl)oxy-2H-chromene-3-carboxylic acid

7-(3,5,6-trimethylcyclohexa-1,5-dien-1-yl)oxy-2H-chromene-3-carboxylic acid (PubChem CID 142947242) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 7-(3,5,6-trimethylcyclohexa-1,5-dien-1-yl)oxy-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name7-(3,5,6-trimethylcyclohexa-1,5-dien-1-yl)oxy-2H-chromene-3-carboxylic acid
PubChem CID142947242
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name7-(3,5,6-trimethylcyclohexa-1,5-dien-1-yl)oxy-2H-chromene-3-carboxylic acid
SMILESCC1=C(C)C(Oc2ccc3c(c2)OCC(C(=O)O)=C3)=CC(C)C1
InChIInChI=1S/C19H20O4/c1-11-6-12(2)13(3)17(7-11)23-16-5-4-14-8-15(19(20)21)10-22-18(14)9-16/h4-5,7-9,11H,6,10H2,1-3H3,(H,20,21)
InChIKeyCWQWHXSELOCKDJ-UHFFFAOYSA-N
XLogP4.19
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5,6-trimethylcyclohexa-1,5-dien-1-yl)oxy-2H-chromene-3-carboxylic acid?
The IUPAC name of 7-(3,5,6-trimethylcyclohexa-1,5-dien-1-yl)oxy-2H-chromene-3-carboxylic acid (CID 142947242) is 7-(3,5,6-trimethylcyclohexa-1,5-dien-1-yl)oxy-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 7-(3,5,6-trimethylcyclohexa-1,5-dien-1-yl)oxy-2H-chromene-3-carboxylic acid?
The canonical SMILES for 7-(3,5,6-trimethylcyclohexa-1,5-dien-1-yl)oxy-2H-chromene-3-carboxylic acid is CC1=C(C)C(Oc2ccc3c(c2)OCC(C(=O)O)=C3)=CC(C)C1.
What is the InChIKey of 7-(3,5,6-trimethylcyclohexa-1,5-dien-1-yl)oxy-2H-chromene-3-carboxylic acid?
The InChIKey is CWQWHXSELOCKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c1-11-6-12(2)13(3)17(7-11)23-16-5-4-14-8-15(19(20)21)10-22-18(14)9-16/h4-5,7-9,11H,6,10H2,1-3H3,(H,20,21).
What are the key properties of 7-(3,5,6-trimethylcyclohexa-1,5-dien-1-yl)oxy-2H-chromene-3-carboxylic acid?
7-(3,5,6-trimethylcyclohexa-1,5-dien-1-yl)oxy-2H-chromene-3-carboxylic acid has a molecular weight of 312.37 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5,6-trimethylcyclohexa-1,5-dien-1-yl)oxy-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 142947242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).