carbon dioxide;1-[[2-(4-chlorophenyl)cyclopenten-1-yl]methoxy]-4-ethyl-2,3-dimethylbenzene

C23H25ClO3 — CID 163677188

IUPACcarbon dioxide;1-[[2-(4-chlorophenyl)cyclopenten-1-yl]methoxy]-4-ethyl-2,3-dimethylbenzene
SMILESCCc1ccc(OCC2=C(c3ccc(Cl)cc3)CCC2)c(C)c1C.O=C=O
InChIInChI=1S/C22H25ClO.CO2/c1-4-17-10-13-22(16(3)15(17)2)24-14-19-6-5-7-21(19)18-8-11-20(23)12-9-18;2-1-3/h8-13H,4-7,14H2,1-3H3;
InChIKeyJHRKMKCPKXWEPW-UHFFFAOYSA-N
MW384.90 g/mol
LogP5.95
Rot. Bonds5

About carbon dioxide;1-[[2-(4-chlorophenyl)cyclopenten-1-yl]methoxy]-4-ethyl-2,3-dimethylbenzene

carbon dioxide;1-[[2-(4-chlorophenyl)cyclopenten-1-yl]methoxy]-4-ethyl-2,3-dimethylbenzene (PubChem CID 163677188) has the molecular formula C23H25ClO3 and a molecular weight of 384.90 g/mol. Its IUPAC name is carbon dioxide;1-[[2-(4-chlorophenyl)cyclopenten-1-yl]methoxy]-4-ethyl-2,3-dimethylbenzene.

Molecular Properties

Compound Namecarbon dioxide;1-[[2-(4-chlorophenyl)cyclopenten-1-yl]methoxy]-4-ethyl-2,3-dimethylbenzene
PubChem CID163677188
Molecular FormulaC23H25ClO3
Molecular Weight384.90 g/mol
Exact Mass384.15
IUPAC Namecarbon dioxide;1-[[2-(4-chlorophenyl)cyclopenten-1-yl]methoxy]-4-ethyl-2,3-dimethylbenzene
SMILESCCc1ccc(OCC2=C(c3ccc(Cl)cc3)CCC2)c(C)c1C.O=C=O
InChIInChI=1S/C22H25ClO.CO2/c1-4-17-10-13-22(16(3)15(17)2)24-14-19-6-5-7-21(19)18-8-11-20(23)12-9-18;2-1-3/h8-13H,4-7,14H2,1-3H3;
InChIKeyJHRKMKCPKXWEPW-UHFFFAOYSA-N
XLogP5.95
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.90
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;1-[[2-(4-chlorophenyl)cyclopenten-1-yl]methoxy]-4-ethyl-2,3-dimethylbenzene?
The IUPAC name of carbon dioxide;1-[[2-(4-chlorophenyl)cyclopenten-1-yl]methoxy]-4-ethyl-2,3-dimethylbenzene (CID 163677188) is carbon dioxide;1-[[2-(4-chlorophenyl)cyclopenten-1-yl]methoxy]-4-ethyl-2,3-dimethylbenzene.
What is the SMILES notation for carbon dioxide;1-[[2-(4-chlorophenyl)cyclopenten-1-yl]methoxy]-4-ethyl-2,3-dimethylbenzene?
The canonical SMILES for carbon dioxide;1-[[2-(4-chlorophenyl)cyclopenten-1-yl]methoxy]-4-ethyl-2,3-dimethylbenzene is CCc1ccc(OCC2=C(c3ccc(Cl)cc3)CCC2)c(C)c1C.O=C=O.
What is the InChIKey of carbon dioxide;1-[[2-(4-chlorophenyl)cyclopenten-1-yl]methoxy]-4-ethyl-2,3-dimethylbenzene?
The InChIKey is JHRKMKCPKXWEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClO.CO2/c1-4-17-10-13-22(16(3)15(17)2)24-14-19-6-5-7-21(19)18-8-11-20(23)12-9-18;2-1-3/h8-13H,4-7,14H2,1-3H3;.
What are the key properties of carbon dioxide;1-[[2-(4-chlorophenyl)cyclopenten-1-yl]methoxy]-4-ethyl-2,3-dimethylbenzene?
carbon dioxide;1-[[2-(4-chlorophenyl)cyclopenten-1-yl]methoxy]-4-ethyl-2,3-dimethylbenzene has a molecular weight of 384.90 g/mol, XLogP of 5.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;1-[[2-(4-chlorophenyl)cyclopenten-1-yl]methoxy]-4-ethyl-2,3-dimethylbenzene is sourced from PubChem (CID 163677188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).