3-(2-chloro-5-methylphenyl)chromen-4-one

C16H11ClO2 — CID 141334254

IUPAC3-(2-chloro-5-methylphenyl)chromen-4-one
SMILESCc1ccc(Cl)c(-c2coc3ccccc3c2=O)c1
InChIInChI=1S/C16H11ClO2/c1-10-6-7-14(17)12(8-10)13-9-19-15-5-3-2-4-11(15)16(13)18/h2-9H,1H3
InChIKeyBUIKYYWJGGVZFK-UHFFFAOYSA-N
MW270.72 g/mol
LogP4.42
Rot. Bonds1

About 3-(2-chloro-5-methylphenyl)chromen-4-one

3-(2-chloro-5-methylphenyl)chromen-4-one (PubChem CID 141334254) has the molecular formula C16H11ClO2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 3-(2-chloro-5-methylphenyl)chromen-4-one.

Molecular Properties

Compound Name3-(2-chloro-5-methylphenyl)chromen-4-one
PubChem CID141334254
Molecular FormulaC16H11ClO2
Molecular Weight270.72 g/mol
Exact Mass270.04
IUPAC Name3-(2-chloro-5-methylphenyl)chromen-4-one
SMILESCc1ccc(Cl)c(-c2coc3ccccc3c2=O)c1
InChIInChI=1S/C16H11ClO2/c1-10-6-7-14(17)12(8-10)13-9-19-15-5-3-2-4-11(15)16(13)18/h2-9H,1H3
InChIKeyBUIKYYWJGGVZFK-UHFFFAOYSA-N
XLogP4.42
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-phenylchromen-4-one
CID 90946880
3-(7-methyl-1H-indol-3-yl)chromen-4-one
CID 56703327
3-phenylchromen-4-one;phosphane
CID 174413449
3-(4-methylphenyl)-1-benzofuran
CID 11160085
N-(1-benzofuran-3-ylmethyl)-2-chloro-5-methylaniline
CID 107630587
7-methyl-3-(2-nitrophenyl)chromen-4-one
CID 11289009
3-(2,5-difluorophenyl)chromen-4-one
CID 141334280
3-(3-methyl-1-benzothiophen-2-yl)chromen-4-one
CID 102104380
3-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one
CID 10804003
2-methylxanthen-9-one;xanthen-9-one
CID 70546954
3-(cyclopenten-1-yl)chromen-4-one
CID 134986957
6-chloro-7-hydroxy-3-(2-methylphenyl)chromen-4-one
CID 89325321

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-methylphenyl)chromen-4-one?
The IUPAC name of 3-(2-chloro-5-methylphenyl)chromen-4-one (CID 141334254) is 3-(2-chloro-5-methylphenyl)chromen-4-one.
What is the SMILES notation for 3-(2-chloro-5-methylphenyl)chromen-4-one?
The canonical SMILES for 3-(2-chloro-5-methylphenyl)chromen-4-one is Cc1ccc(Cl)c(-c2coc3ccccc3c2=O)c1.
What is the InChIKey of 3-(2-chloro-5-methylphenyl)chromen-4-one?
The InChIKey is BUIKYYWJGGVZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClO2/c1-10-6-7-14(17)12(8-10)13-9-19-15-5-3-2-4-11(15)16(13)18/h2-9H,1H3.
What are the key properties of 3-(2-chloro-5-methylphenyl)chromen-4-one?
3-(2-chloro-5-methylphenyl)chromen-4-one has a molecular weight of 270.72 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-methylphenyl)chromen-4-one is sourced from PubChem (CID 141334254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).