(2,4-dichlorophenyl)-(5-methylcyclopenta[c]pyran-6-yl)methanone

C16H10Cl2O2 — CID 91555081

IUPAC(2,4-dichlorophenyl)-(5-methylcyclopenta[c]pyran-6-yl)methanone
SMILESCc1c(C(=O)c2ccc(Cl)cc2Cl)cc2coccc1-2
InChIInChI=1S/C16H10Cl2O2/c1-9-12-4-5-20-8-10(12)6-14(9)16(19)13-3-2-11(17)7-15(13)18/h2-8H,1H3
InChIKeyPQWPJFOKZCGGAQ-UHFFFAOYSA-N
MW305.16 g/mol
LogP5.23
Rot. Bonds2

About (2,4-dichlorophenyl)-(5-methylcyclopenta[c]pyran-6-yl)methanone

(2,4-dichlorophenyl)-(5-methylcyclopenta[c]pyran-6-yl)methanone (PubChem CID 91555081) has the molecular formula C16H10Cl2O2 and a molecular weight of 305.16 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(5-methylcyclopenta[c]pyran-6-yl)methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(5-methylcyclopenta[c]pyran-6-yl)methanone
PubChem CID91555081
Molecular FormulaC16H10Cl2O2
Molecular Weight305.16 g/mol
Exact Mass304.01
IUPAC Name(2,4-dichlorophenyl)-(5-methylcyclopenta[c]pyran-6-yl)methanone
SMILESCc1c(C(=O)c2ccc(Cl)cc2Cl)cc2coccc1-2
InChIInChI=1S/C16H10Cl2O2/c1-9-12-4-5-20-8-10(12)6-14(9)16(19)13-3-2-11(17)7-15(13)18/h2-8H,1H3
InChIKeyPQWPJFOKZCGGAQ-UHFFFAOYSA-N
XLogP5.23
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.16
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43344575
(2,4-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 65151835
(5-chloro-2-methoxyphenyl)-(2,4-dichlorophenyl)methanone
CID 63492522
(4-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanone
CID 63492688
(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanone
CID 63492857
(3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanone
CID 81265376
(2,4-dichlorophenyl)-(3-methyltriazol-4-yl)methanone
CID 115806610
(4-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43805120
(2,4-dichlorophenyl)-(2,4-difluorophenyl)methanone
CID 43159987
(2,4-dichlorophenyl)-(2-ethylphenyl)methanone
CID 79020257
(2-chloro-4-fluorophenyl)-(4-chloro-2-methylphenyl)methanone
CID 146005847
(2,4-dichlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65299220

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(5-methylcyclopenta[c]pyran-6-yl)methanone?
The IUPAC name of (2,4-dichlorophenyl)-(5-methylcyclopenta[c]pyran-6-yl)methanone (CID 91555081) is (2,4-dichlorophenyl)-(5-methylcyclopenta[c]pyran-6-yl)methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-(5-methylcyclopenta[c]pyran-6-yl)methanone?
The canonical SMILES for (2,4-dichlorophenyl)-(5-methylcyclopenta[c]pyran-6-yl)methanone is Cc1c(C(=O)c2ccc(Cl)cc2Cl)cc2coccc1-2.
What is the InChIKey of (2,4-dichlorophenyl)-(5-methylcyclopenta[c]pyran-6-yl)methanone?
The InChIKey is PQWPJFOKZCGGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2O2/c1-9-12-4-5-20-8-10(12)6-14(9)16(19)13-3-2-11(17)7-15(13)18/h2-8H,1H3.
What are the key properties of (2,4-dichlorophenyl)-(5-methylcyclopenta[c]pyran-6-yl)methanone?
(2,4-dichlorophenyl)-(5-methylcyclopenta[c]pyran-6-yl)methanone has a molecular weight of 305.16 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(5-methylcyclopenta[c]pyran-6-yl)methanone is sourced from PubChem (CID 91555081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).