1-hydroxy-9-methoxy-3-(2-methyloctan-2-yl)benzo[c]chromen-6-one

C23H28O4 — CID 11268660

IUPAC1-hydroxy-9-methoxy-3-(2-methyloctan-2-yl)benzo[c]chromen-6-one
SMILESCCCCCCC(C)(C)c1cc(O)c2c(c1)oc(=O)c1ccc(OC)cc12
InChIInChI=1S/C23H28O4/c1-5-6-7-8-11-23(2,3)15-12-19(24)21-18-14-16(26-4)9-10-17(18)22(25)27-20(21)13-15/h9-10,12-14,24H,5-8,11H2,1-4H3
InChIKeyZAIKPEWFCSQNQB-UHFFFAOYSA-N
MW368.47 g/mol
LogP5.91
Rot. Bonds7

About 1-hydroxy-9-methoxy-3-(2-methyloctan-2-yl)benzo[c]chromen-6-one

1-hydroxy-9-methoxy-3-(2-methyloctan-2-yl)benzo[c]chromen-6-one (PubChem CID 11268660) has the molecular formula C23H28O4 and a molecular weight of 368.47 g/mol. Its IUPAC name is 1-hydroxy-9-methoxy-3-(2-methyloctan-2-yl)benzo[c]chromen-6-one.

Molecular Properties

Compound Name1-hydroxy-9-methoxy-3-(2-methyloctan-2-yl)benzo[c]chromen-6-one
PubChem CID11268660
Molecular FormulaC23H28O4
Molecular Weight368.47 g/mol
Exact Mass368.20
IUPAC Name1-hydroxy-9-methoxy-3-(2-methyloctan-2-yl)benzo[c]chromen-6-one
SMILESCCCCCCC(C)(C)c1cc(O)c2c(c1)oc(=O)c1ccc(OC)cc12
InChIInChI=1S/C23H28O4/c1-5-6-7-8-11-23(2,3)15-12-19(24)21-18-14-16(26-4)9-10-17(18)22(25)27-20(21)13-15/h9-10,12-14,24H,5-8,11H2,1-4H3
InChIKeyZAIKPEWFCSQNQB-UHFFFAOYSA-N
XLogP5.91
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.47
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 16850
Urolithin A
CID 5488186
Nabilone
CID 5284592
delta9-Tetrahydrocannabinolic acid
CID 98523
Physcion
CID 10639
Alternariol
CID 5359485
Licochalcone A
CID 5318998
Epicatechin Gallate
CID 107905
Bavachinin
CID 10337211
Lenabasum
CID 3083542
Alternariol monomethyl ether
CID 5360741
Sakuranetin
CID 73571

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-9-methoxy-3-(2-methyloctan-2-yl)benzo[c]chromen-6-one?
The IUPAC name of 1-hydroxy-9-methoxy-3-(2-methyloctan-2-yl)benzo[c]chromen-6-one (CID 11268660) is 1-hydroxy-9-methoxy-3-(2-methyloctan-2-yl)benzo[c]chromen-6-one.
What is the SMILES notation for 1-hydroxy-9-methoxy-3-(2-methyloctan-2-yl)benzo[c]chromen-6-one?
The canonical SMILES for 1-hydroxy-9-methoxy-3-(2-methyloctan-2-yl)benzo[c]chromen-6-one is CCCCCCC(C)(C)c1cc(O)c2c(c1)oc(=O)c1ccc(OC)cc12.
What is the InChIKey of 1-hydroxy-9-methoxy-3-(2-methyloctan-2-yl)benzo[c]chromen-6-one?
The InChIKey is ZAIKPEWFCSQNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O4/c1-5-6-7-8-11-23(2,3)15-12-19(24)21-18-14-16(26-4)9-10-17(18)22(25)27-20(21)13-15/h9-10,12-14,24H,5-8,11H2,1-4H3.
What are the key properties of 1-hydroxy-9-methoxy-3-(2-methyloctan-2-yl)benzo[c]chromen-6-one?
1-hydroxy-9-methoxy-3-(2-methyloctan-2-yl)benzo[c]chromen-6-one has a molecular weight of 368.47 g/mol, XLogP of 5.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-9-methoxy-3-(2-methyloctan-2-yl)benzo[c]chromen-6-one is sourced from PubChem (CID 11268660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).