10-ethyl-3,8-dihydroxy-4-methylbenzo[c]chromen-6-one

C16H14O4 — CID 10400919

IUPAC10-ethyl-3,8-dihydroxy-4-methylbenzo[c]chromen-6-one
SMILESCCc1cc(O)cc2c(=O)oc3c(C)c(O)ccc3c12
InChIInChI=1S/C16H14O4/c1-3-9-6-10(17)7-12-14(9)11-4-5-13(18)8(2)15(11)20-16(12)19/h4-7,17-18H,3H2,1-2H3
InChIKeyMCYAWLNSWNLXPT-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.23
Rot. Bonds1

About 10-ethyl-3,8-dihydroxy-4-methylbenzo[c]chromen-6-one

10-ethyl-3,8-dihydroxy-4-methylbenzo[c]chromen-6-one (PubChem CID 10400919) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 10-ethyl-3,8-dihydroxy-4-methylbenzo[c]chromen-6-one.

Molecular Properties

Compound Name10-ethyl-3,8-dihydroxy-4-methylbenzo[c]chromen-6-one
PubChem CID10400919
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name10-ethyl-3,8-dihydroxy-4-methylbenzo[c]chromen-6-one
SMILESCCc1cc(O)cc2c(=O)oc3c(C)c(O)ccc3c12
InChIInChI=1S/C16H14O4/c1-3-9-6-10(17)7-12-14(9)11-4-5-13(18)8(2)15(11)20-16(12)19/h4-7,17-18H,3H2,1-2H3
InChIKeyMCYAWLNSWNLXPT-UHFFFAOYSA-N
XLogP3.23
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.23
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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Related Compounds

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CID 65064
Erythrosine
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Diacerein
CID 26248
Urolithin A
CID 5488186
delta9-Tetrahydrocannabinolic acid
CID 98523
Mangostin
CID 5281650
Physcion
CID 10639
Alternariol
CID 5359485
Licochalcone A
CID 5318998

Frequently Asked Questions

What is the IUPAC name of 10-ethyl-3,8-dihydroxy-4-methylbenzo[c]chromen-6-one?
The IUPAC name of 10-ethyl-3,8-dihydroxy-4-methylbenzo[c]chromen-6-one (CID 10400919) is 10-ethyl-3,8-dihydroxy-4-methylbenzo[c]chromen-6-one.
What is the SMILES notation for 10-ethyl-3,8-dihydroxy-4-methylbenzo[c]chromen-6-one?
The canonical SMILES for 10-ethyl-3,8-dihydroxy-4-methylbenzo[c]chromen-6-one is CCc1cc(O)cc2c(=O)oc3c(C)c(O)ccc3c12.
What is the InChIKey of 10-ethyl-3,8-dihydroxy-4-methylbenzo[c]chromen-6-one?
The InChIKey is MCYAWLNSWNLXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-3-9-6-10(17)7-12-14(9)11-4-5-13(18)8(2)15(11)20-16(12)19/h4-7,17-18H,3H2,1-2H3.
What are the key properties of 10-ethyl-3,8-dihydroxy-4-methylbenzo[c]chromen-6-one?
10-ethyl-3,8-dihydroxy-4-methylbenzo[c]chromen-6-one has a molecular weight of 270.28 g/mol, XLogP of 3.23, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-3,8-dihydroxy-4-methylbenzo[c]chromen-6-one is sourced from PubChem (CID 10400919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).