8-hydroxy-4-oxo-10-propyl-6,7,8,9-tetrahydrobenzo[g]chromene-2-carboxylic acid

C17H18O5 — CID 23459793

IUPAC8-hydroxy-4-oxo-10-propyl-6,7,8,9-tetrahydrobenzo[g]chromene-2-carboxylic acid
SMILESCCCc1c2c(cc3c(=O)cc(C(=O)O)oc13)CCC(O)C2
InChIInChI=1S/C17H18O5/c1-2-3-11-12-7-10(18)5-4-9(12)6-13-14(19)8-15(17(20)21)22-16(11)13/h6,8,10,18H,2-5,7H2,1H3,(H,20,21)
InChIKeyDZJLSZOIJZQYKA-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.29
Rot. Bonds3

About 8-hydroxy-4-oxo-10-propyl-6,7,8,9-tetrahydrobenzo[g]chromene-2-carboxylic acid

8-hydroxy-4-oxo-10-propyl-6,7,8,9-tetrahydrobenzo[g]chromene-2-carboxylic acid (PubChem CID 23459793) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is 8-hydroxy-4-oxo-10-propyl-6,7,8,9-tetrahydrobenzo[g]chromene-2-carboxylic acid.

Molecular Properties

Compound Name8-hydroxy-4-oxo-10-propyl-6,7,8,9-tetrahydrobenzo[g]chromene-2-carboxylic acid
PubChem CID23459793
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Name8-hydroxy-4-oxo-10-propyl-6,7,8,9-tetrahydrobenzo[g]chromene-2-carboxylic acid
SMILESCCCc1c2c(cc3c(=O)cc(C(=O)O)oc13)CCC(O)C2
InChIInChI=1S/C17H18O5/c1-2-3-11-12-7-10(18)5-4-9(12)6-13-14(19)8-15(17(20)21)22-16(11)13/h6,8,10,18H,2-5,7H2,1H3,(H,20,21)
InChIKeyDZJLSZOIJZQYKA-UHFFFAOYSA-N
XLogP2.29
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-4-oxo-10-propyl-6,7,8,9-tetrahydrobenzo[g]chromene-2-carboxylic acid?
The IUPAC name of 8-hydroxy-4-oxo-10-propyl-6,7,8,9-tetrahydrobenzo[g]chromene-2-carboxylic acid (CID 23459793) is 8-hydroxy-4-oxo-10-propyl-6,7,8,9-tetrahydrobenzo[g]chromene-2-carboxylic acid.
What is the SMILES notation for 8-hydroxy-4-oxo-10-propyl-6,7,8,9-tetrahydrobenzo[g]chromene-2-carboxylic acid?
The canonical SMILES for 8-hydroxy-4-oxo-10-propyl-6,7,8,9-tetrahydrobenzo[g]chromene-2-carboxylic acid is CCCc1c2c(cc3c(=O)cc(C(=O)O)oc13)CCC(O)C2.
What is the InChIKey of 8-hydroxy-4-oxo-10-propyl-6,7,8,9-tetrahydrobenzo[g]chromene-2-carboxylic acid?
The InChIKey is DZJLSZOIJZQYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-2-3-11-12-7-10(18)5-4-9(12)6-13-14(19)8-15(17(20)21)22-16(11)13/h6,8,10,18H,2-5,7H2,1H3,(H,20,21).
What are the key properties of 8-hydroxy-4-oxo-10-propyl-6,7,8,9-tetrahydrobenzo[g]chromene-2-carboxylic acid?
8-hydroxy-4-oxo-10-propyl-6,7,8,9-tetrahydrobenzo[g]chromene-2-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-4-oxo-10-propyl-6,7,8,9-tetrahydrobenzo[g]chromene-2-carboxylic acid is sourced from PubChem (CID 23459793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).