4-(bromomethyl)-7-methoxy-3-phosphanylchromen-2-one

C11H10BrO3P — CID 118609362

IUPAC4-(bromomethyl)-7-methoxy-3-phosphanylchromen-2-one
SMILESCOc1ccc2c(CBr)c(P)c(=O)oc2c1
InChIInChI=1S/C11H10BrO3P/c1-14-6-2-3-7-8(5-12)10(16)11(13)15-9(7)4-6/h2-4H,5,16H2,1H3
InChIKeySHDSKCAJQAOQGK-UHFFFAOYSA-N
MW301.08 g/mol
LogP2.20
Rot. Bonds2

About 4-(bromomethyl)-7-methoxy-3-phosphanylchromen-2-one

4-(bromomethyl)-7-methoxy-3-phosphanylchromen-2-one (PubChem CID 118609362) has the molecular formula C11H10BrO3P and a molecular weight of 301.08 g/mol. Its IUPAC name is 4-(bromomethyl)-7-methoxy-3-phosphanylchromen-2-one.

Molecular Properties

Compound Name4-(bromomethyl)-7-methoxy-3-phosphanylchromen-2-one
PubChem CID118609362
Molecular FormulaC11H10BrO3P
Molecular Weight301.08 g/mol
Exact Mass299.96
IUPAC Name4-(bromomethyl)-7-methoxy-3-phosphanylchromen-2-one
SMILESCOc1ccc2c(CBr)c(P)c(=O)oc2c1
InChIInChI=1S/C11H10BrO3P/c1-14-6-2-3-7-8(5-12)10(16)11(13)15-9(7)4-6/h2-4H,5,16H2,1H3
InChIKeySHDSKCAJQAOQGK-UHFFFAOYSA-N
XLogP2.20
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.08
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminoethyl)-7-methoxy-4-methylchromen-2-one
CID 129053570
2-(bromomethyl)-7-methoxy-3-(4-methoxyphenyl)chromen-4-one
CID 10619458
3-bromo-4-[(N-ethylanilino)methyl]-7-methoxychromen-2-one
CID 13109468
5-(bromomethyl)-7-methoxychromen-2-one
CID 11737276
7-methoxy-4-oxahexacyclo[12.12.0.02,11.05,10.015,20.021,26]hexacosa-1(14),2(11),5(10),6,8,12,15,17,19,21,23,25-dodecaen-3-one
CID 118617499
4-(bromomethyl)-7-methoxychromen-2-one;cyclohepta-2,4,6-trien-1-one
CID 139845956
8-methoxynaphtho[1,2-c]chromen-5-one
CID 118617567
2-ethyl-7-methoxychromen-4-one
CID 10013150
7-methoxy-4-oxapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),5(10),6,8,12,15,17,19,21-decaen-3-one
CID 118617487
8-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one
CID 1347567
7-methoxy-4-methyl-3-(trifluoromethyl)chromen-2-one
CID 73437941
(7-methoxy-2-oxochromen-4-yl)methyl-methylazanium
CID 8931836

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-7-methoxy-3-phosphanylchromen-2-one?
The IUPAC name of 4-(bromomethyl)-7-methoxy-3-phosphanylchromen-2-one (CID 118609362) is 4-(bromomethyl)-7-methoxy-3-phosphanylchromen-2-one.
What is the SMILES notation for 4-(bromomethyl)-7-methoxy-3-phosphanylchromen-2-one?
The canonical SMILES for 4-(bromomethyl)-7-methoxy-3-phosphanylchromen-2-one is COc1ccc2c(CBr)c(P)c(=O)oc2c1.
What is the InChIKey of 4-(bromomethyl)-7-methoxy-3-phosphanylchromen-2-one?
The InChIKey is SHDSKCAJQAOQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrO3P/c1-14-6-2-3-7-8(5-12)10(16)11(13)15-9(7)4-6/h2-4H,5,16H2,1H3.
What are the key properties of 4-(bromomethyl)-7-methoxy-3-phosphanylchromen-2-one?
4-(bromomethyl)-7-methoxy-3-phosphanylchromen-2-one has a molecular weight of 301.08 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-7-methoxy-3-phosphanylchromen-2-one is sourced from PubChem (CID 118609362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).