8-butyl-3-hydroxybenzo[c]chromen-6-one

C17H16O3 — CID 167552509

IUPAC8-butyl-3-hydroxybenzo[c]chromen-6-one
SMILESCCCCc1ccc2c(c1)c(=O)oc1cc(O)ccc12
InChIInChI=1S/C17H16O3/c1-2-3-4-11-5-7-13-14-8-6-12(18)10-16(14)20-17(19)15(13)9-11/h5-10,18H,2-4H2,1H3
InChIKeyBHGFKWADYVKZHK-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.99
Rot. Bonds3

About 8-butyl-3-hydroxybenzo[c]chromen-6-one

8-butyl-3-hydroxybenzo[c]chromen-6-one (PubChem CID 167552509) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 8-butyl-3-hydroxybenzo[c]chromen-6-one.

Molecular Properties

Compound Name8-butyl-3-hydroxybenzo[c]chromen-6-one
PubChem CID167552509
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name8-butyl-3-hydroxybenzo[c]chromen-6-one
SMILESCCCCc1ccc2c(c1)c(=O)oc1cc(O)ccc12
InChIInChI=1S/C17H16O3/c1-2-3-4-11-5-7-13-14-8-6-12(18)10-16(14)20-17(19)15(13)9-11/h5-10,18H,2-4H2,1H3
InChIKeyBHGFKWADYVKZHK-UHFFFAOYSA-N
XLogP3.99
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

8-[(dimethylamino)methyl]-3-hydroxybenzo[c]chromen-6-one
CID 170381068
9-butylbenzo[c]chromen-6-one
CID 102375140
CID 153050234
CID 153050234
9-(3,8-dihydroxy-6-oxobenzo[c]chromen-9-yl)-3,8-dihydroxybenzo[c]chromen-6-one
CID 11510769
7-hydroxy-3-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-4-methylchromen-2-one
CID 10473941
7-hydroxy-4-octylchromen-2-one
CID 139771377
7-hydroxy-3-(2-methoxy-4-pentylphenyl)chromen-2-one
CID 146412159
8-hydroxy-3-nitrosobenzo[c]chromen-6-one
CID 144622401
4-ethyl-7-hydroxy-3-methylchromen-2-one
CID 13309299
3-hydroxy-9-(3-hydroxyprop-1-ynyl)-8-methylbenzo[c]chromen-6-one
CID 167569200
2-(dimethylamino)-N-(8-hydroxy-6-oxobenzo[c]chromen-3-yl)acetamide
CID 164598121
3-hydroxy-7-methylbenzo[c]chromen-6-one
CID 171935919

Frequently Asked Questions

What is the IUPAC name of 8-butyl-3-hydroxybenzo[c]chromen-6-one?
The IUPAC name of 8-butyl-3-hydroxybenzo[c]chromen-6-one (CID 167552509) is 8-butyl-3-hydroxybenzo[c]chromen-6-one.
What is the SMILES notation for 8-butyl-3-hydroxybenzo[c]chromen-6-one?
The canonical SMILES for 8-butyl-3-hydroxybenzo[c]chromen-6-one is CCCCc1ccc2c(c1)c(=O)oc1cc(O)ccc12.
What is the InChIKey of 8-butyl-3-hydroxybenzo[c]chromen-6-one?
The InChIKey is BHGFKWADYVKZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-2-3-4-11-5-7-13-14-8-6-12(18)10-16(14)20-17(19)15(13)9-11/h5-10,18H,2-4H2,1H3.
What are the key properties of 8-butyl-3-hydroxybenzo[c]chromen-6-one?
8-butyl-3-hydroxybenzo[c]chromen-6-one has a molecular weight of 268.31 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butyl-3-hydroxybenzo[c]chromen-6-one is sourced from PubChem (CID 167552509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).