3,8-dihydroxy-1,4,7-trimethylbenzo[c]chromen-6-one

C16H14O4 — CID 10468337

IUPAC3,8-dihydroxy-1,4,7-trimethylbenzo[c]chromen-6-one
SMILESCc1c(O)cc(C)c2c1oc(=O)c1c(C)c(O)ccc12
InChIInChI=1S/C16H14O4/c1-7-6-12(18)9(3)15-13(7)10-4-5-11(17)8(2)14(10)16(19)20-15/h4-6,17-18H,1-3H3
InChIKeyYMCNZULRQVDFCL-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.28
Rot. Bonds

About 3,8-dihydroxy-1,4,7-trimethylbenzo[c]chromen-6-one

3,8-dihydroxy-1,4,7-trimethylbenzo[c]chromen-6-one (PubChem CID 10468337) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 3,8-dihydroxy-1,4,7-trimethylbenzo[c]chromen-6-one.

Molecular Properties

Compound Name3,8-dihydroxy-1,4,7-trimethylbenzo[c]chromen-6-one
PubChem CID10468337
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name3,8-dihydroxy-1,4,7-trimethylbenzo[c]chromen-6-one
SMILESCc1c(O)cc(C)c2c1oc(=O)c1c(C)c(O)ccc12
InChIInChI=1S/C16H14O4/c1-7-6-12(18)9(3)15-13(7)10-4-5-11(17)8(2)14(10)16(19)20-15/h4-6,17-18H,1-3H3
InChIKeyYMCNZULRQVDFCL-UHFFFAOYSA-N
XLogP3.28
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,8-dihydroxy-1,4,7-trimethylbenzo[c]chromen-6-one?
The IUPAC name of 3,8-dihydroxy-1,4,7-trimethylbenzo[c]chromen-6-one (CID 10468337) is 3,8-dihydroxy-1,4,7-trimethylbenzo[c]chromen-6-one.
What is the SMILES notation for 3,8-dihydroxy-1,4,7-trimethylbenzo[c]chromen-6-one?
The canonical SMILES for 3,8-dihydroxy-1,4,7-trimethylbenzo[c]chromen-6-one is Cc1c(O)cc(C)c2c1oc(=O)c1c(C)c(O)ccc12.
What is the InChIKey of 3,8-dihydroxy-1,4,7-trimethylbenzo[c]chromen-6-one?
The InChIKey is YMCNZULRQVDFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-7-6-12(18)9(3)15-13(7)10-4-5-11(17)8(2)14(10)16(19)20-15/h4-6,17-18H,1-3H3.
What are the key properties of 3,8-dihydroxy-1,4,7-trimethylbenzo[c]chromen-6-one?
3,8-dihydroxy-1,4,7-trimethylbenzo[c]chromen-6-one has a molecular weight of 270.28 g/mol, XLogP of 3.28, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dihydroxy-1,4,7-trimethylbenzo[c]chromen-6-one is sourced from PubChem (CID 10468337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).