8-bromo-3-phenylmethoxybenzo[c]chromen-6-one

C20H13BrO3 — CID 164598270

IUPAC8-bromo-3-phenylmethoxybenzo[c]chromen-6-one
SMILESO=c1oc2cc(OCc3ccccc3)ccc2c2ccc(Br)cc12
InChIInChI=1S/C20H13BrO3/c21-14-6-8-16-17-9-7-15(23-12-13-4-2-1-3-5-13)11-19(17)24-20(22)18(16)10-14/h1-11H,12H2
InChIKeyWWTJOGQTEBUZBH-UHFFFAOYSA-N
MW381.23 g/mol
LogP5.29
Rot. Bonds3

About 8-bromo-3-phenylmethoxybenzo[c]chromen-6-one

8-bromo-3-phenylmethoxybenzo[c]chromen-6-one (PubChem CID 164598270) has the molecular formula C20H13BrO3 and a molecular weight of 381.23 g/mol. Its IUPAC name is 8-bromo-3-phenylmethoxybenzo[c]chromen-6-one.

Molecular Properties

Compound Name8-bromo-3-phenylmethoxybenzo[c]chromen-6-one
PubChem CID164598270
Molecular FormulaC20H13BrO3
Molecular Weight381.23 g/mol
Exact Mass380.00
IUPAC Name8-bromo-3-phenylmethoxybenzo[c]chromen-6-one
SMILESO=c1oc2cc(OCc3ccccc3)ccc2c2ccc(Br)cc12
InChIInChI=1S/C20H13BrO3/c21-14-6-8-16-17-9-7-15(23-12-13-4-2-1-3-5-13)11-19(17)24-20(22)18(16)10-14/h1-11H,12H2
InChIKeyWWTJOGQTEBUZBH-UHFFFAOYSA-N
XLogP5.29
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.23
LogP ≤ 55.29
H-Bond Donors ≤ 50
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

3-phenylmethoxybenzo[c]chromen-6-one
CID 2787564
(3-bromo-2-oxo-7-phenylmethoxychromen-4-yl) acetate
CID 46845317
8-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one
CID 1347567
3-[(3-fluorophenyl)methoxy]benzo[c]chromen-6-one
CID 1121024
3-[(4-bromophenyl)methoxy]-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 2891561
4-methyl-7-phenylmethoxychromen-2-one
CID 728520
8-[(E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenyl]-3-phenylmethoxybenzo[c]chromen-6-one
CID 174287196
2-bromo-6-phenylmethoxynaphthalene
CID 640595
3-hydroxy-7-methoxy-4-phenylmethoxychromen-2-one
CID 22402268
3-[(2-chlorophenyl)methoxy]benzo[c]chromen-6-one
CID 746170
N-benzyl-2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 171617266
7-[(4-bromophenyl)methoxy]-3-phenyl-2-(trifluoromethyl)chromen-4-one
CID 3572340

Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-phenylmethoxybenzo[c]chromen-6-one?
The IUPAC name of 8-bromo-3-phenylmethoxybenzo[c]chromen-6-one (CID 164598270) is 8-bromo-3-phenylmethoxybenzo[c]chromen-6-one.
What is the SMILES notation for 8-bromo-3-phenylmethoxybenzo[c]chromen-6-one?
The canonical SMILES for 8-bromo-3-phenylmethoxybenzo[c]chromen-6-one is O=c1oc2cc(OCc3ccccc3)ccc2c2ccc(Br)cc12.
What is the InChIKey of 8-bromo-3-phenylmethoxybenzo[c]chromen-6-one?
The InChIKey is WWTJOGQTEBUZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrO3/c21-14-6-8-16-17-9-7-15(23-12-13-4-2-1-3-5-13)11-19(17)24-20(22)18(16)10-14/h1-11H,12H2.
What are the key properties of 8-bromo-3-phenylmethoxybenzo[c]chromen-6-one?
8-bromo-3-phenylmethoxybenzo[c]chromen-6-one has a molecular weight of 381.23 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-phenylmethoxybenzo[c]chromen-6-one is sourced from PubChem (CID 164598270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).