6-chloro-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one

C16H13ClO3 — CID 12073467

IUPAC6-chloro-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one
SMILESCOc1cc2c(cc1Cl)C(=O)CC(c1ccccc1)O2
InChIInChI=1S/C16H13ClO3/c1-19-16-9-15-11(7-12(16)17)13(18)8-14(20-15)10-5-3-2-4-6-10/h2-7,9,14H,8H2,1H3
InChIKeyPYPPLLIWZBNXMB-UHFFFAOYSA-N
MW288.73 g/mol
LogP4.06
Rot. Bonds2

About 6-chloro-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one

6-chloro-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one (PubChem CID 12073467) has the molecular formula C16H13ClO3 and a molecular weight of 288.73 g/mol. Its IUPAC name is 6-chloro-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-chloro-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one
PubChem CID12073467
Molecular FormulaC16H13ClO3
Molecular Weight288.73 g/mol
Exact Mass288.06
IUPAC Name6-chloro-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one
SMILESCOc1cc2c(cc1Cl)C(=O)CC(c1ccccc1)O2
InChIInChI=1S/C16H13ClO3/c1-19-16-9-15-11(7-12(16)17)13(18)8-14(20-15)10-5-3-2-4-6-10/h2-7,9,14H,8H2,1H3
InChIKeyPYPPLLIWZBNXMB-UHFFFAOYSA-N
XLogP4.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-methoxyphenyl)-6-methyl-2,3-dihydrochromen-4-one
CID 114673668
6,8-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 24978119
6-aminooxy-2-phenyl-2,3-dihydrochromen-4-one
CID 163678312
(2R)-2-(3,4-dihydroxyphenyl)-6-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 102145698
6-bromo-7-methyl-2-phenyl-2,3-dihydrochromen-4-one
CID 3676100
4-[(2R)-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]benzoic acid
CID 93179406
ethane;2-phenyl-2,3-dihydrochromen-4-one
CID 91018475
2-(2,6-dichlorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114673789
2-(3,4-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 2922801
6-chloro-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 114672657
7-(dimethylamino)-2-phenyl-2,3-dihydrochromen-4-one
CID 13393781
(2S)-6-bromo-2-phenyl-2,3-dihydrochromen-4-one
CID 71059551

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one?
The IUPAC name of 6-chloro-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one (CID 12073467) is 6-chloro-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-chloro-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-chloro-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one is COc1cc2c(cc1Cl)C(=O)CC(c1ccccc1)O2.
What is the InChIKey of 6-chloro-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one?
The InChIKey is PYPPLLIWZBNXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO3/c1-19-16-9-15-11(7-12(16)17)13(18)8-14(20-15)10-5-3-2-4-6-10/h2-7,9,14H,8H2,1H3.
What are the key properties of 6-chloro-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one?
6-chloro-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one has a molecular weight of 288.73 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 12073467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).