3-hydroxy-9-(oxolan-3-yloxy)benzo[c]chromen-6-one

C17H14O5 — CID 164597973

IUPAC3-hydroxy-9-(oxolan-3-yloxy)benzo[c]chromen-6-one
SMILESO=c1oc2cc(O)ccc2c2cc(OC3CCOC3)ccc12
InChIInChI=1S/C17H14O5/c18-10-1-3-13-15-8-11(21-12-5-6-20-9-12)2-4-14(15)17(19)22-16(13)7-10/h1-4,7-8,12,18H,5-6,9H2
InChIKeyDDAJNYNVTWSEEL-UHFFFAOYSA-N
MW298.29 g/mol
LogP2.82
Rot. Bonds2

About 3-hydroxy-9-(oxolan-3-yloxy)benzo[c]chromen-6-one

3-hydroxy-9-(oxolan-3-yloxy)benzo[c]chromen-6-one (PubChem CID 164597973) has the molecular formula C17H14O5 and a molecular weight of 298.29 g/mol. Its IUPAC name is 3-hydroxy-9-(oxolan-3-yloxy)benzo[c]chromen-6-one.

Molecular Properties

Compound Name3-hydroxy-9-(oxolan-3-yloxy)benzo[c]chromen-6-one
PubChem CID164597973
Molecular FormulaC17H14O5
Molecular Weight298.29 g/mol
Exact Mass298.08
IUPAC Name3-hydroxy-9-(oxolan-3-yloxy)benzo[c]chromen-6-one
SMILESO=c1oc2cc(O)ccc2c2cc(OC3CCOC3)ccc12
InChIInChI=1S/C17H14O5/c18-10-1-3-13-15-8-11(21-12-5-6-20-9-12)2-4-14(15)17(19)22-16(13)7-10/h1-4,7-8,12,18H,5-6,9H2
InChIKeyDDAJNYNVTWSEEL-UHFFFAOYSA-N
XLogP2.82
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1-fluoro-3-hydroxy-8-[(3S)-oxolan-3-yl]oxybenzo[c]chromen-6-one
CID 164598513
2-chloro-3-hydroxy-8-[(3S)-oxolan-3-yl]oxybenzo[c]chromen-6-one
CID 164598650
3-butoxy-8-hydroxybenzo[c]chromen-6-one;3-butoxy-8-(oxan-3-yloxy)benzo[c]chromen-6-one;3-hydroxy-8-(oxan-3-yloxy)benzo[c]chromen-6-one;methane;oxan-3-ol
CID 167616794
3-(dimethylamino)-8-(oxan-4-yloxy)benzo[c]chromen-6-one;3-(methylamino)-8-(oxan-4-yloxy)benzo[c]chromen-6-one
CID 164598391
1,10-difluoro-3-hydroxy-8-(oxan-4-yloxy)benzo[c]chromen-6-one
CID 164598272
8-cyclobutyloxy-9-fluoro-3-hydroxybenzo[c]chromen-6-one
CID 167646162
9-(3,8-dihydroxy-6-oxobenzo[c]chromen-9-yl)-3,8-dihydroxybenzo[c]chromen-6-one
CID 11510769
3-[(2R,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxybenzo[c]chromen-6-one
CID 11551913
2-methoxy-4-[(3S)-oxolan-3-yl]oxyaniline
CID 166611371
4-[(3R)-oxolan-3-yl]oxybenzoic acid
CID 95979365
1-fluoro-3-hydroxy-8-(oxan-4-yloxy)-5H-phenanthridin-6-one
CID 164598605
(3S)-3-amino-1-hydroxy-7-[(3S)-oxolan-3-yl]oxy-3,4-dihydroquinolin-2-one
CID 68782303

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-9-(oxolan-3-yloxy)benzo[c]chromen-6-one?
The IUPAC name of 3-hydroxy-9-(oxolan-3-yloxy)benzo[c]chromen-6-one (CID 164597973) is 3-hydroxy-9-(oxolan-3-yloxy)benzo[c]chromen-6-one.
What is the SMILES notation for 3-hydroxy-9-(oxolan-3-yloxy)benzo[c]chromen-6-one?
The canonical SMILES for 3-hydroxy-9-(oxolan-3-yloxy)benzo[c]chromen-6-one is O=c1oc2cc(O)ccc2c2cc(OC3CCOC3)ccc12.
What is the InChIKey of 3-hydroxy-9-(oxolan-3-yloxy)benzo[c]chromen-6-one?
The InChIKey is DDAJNYNVTWSEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O5/c18-10-1-3-13-15-8-11(21-12-5-6-20-9-12)2-4-14(15)17(19)22-16(13)7-10/h1-4,7-8,12,18H,5-6,9H2.
What are the key properties of 3-hydroxy-9-(oxolan-3-yloxy)benzo[c]chromen-6-one?
3-hydroxy-9-(oxolan-3-yloxy)benzo[c]chromen-6-one has a molecular weight of 298.29 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-9-(oxolan-3-yloxy)benzo[c]chromen-6-one is sourced from PubChem (CID 164597973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).