2-[1-(2-chloro-4,5-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid

C15H19ClO4 — CID 83943685

IUPAC2-[1-(2-chloro-4,5-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
SMILESCOc1cc(Cl)c(CC(C)C2CC2C(=O)O)cc1OC
InChIInChI=1S/C15H19ClO4/c1-8(10-6-11(10)15(17)18)4-9-5-13(19-2)14(20-3)7-12(9)16/h5,7-8,10-11H,4,6H2,1-3H3,(H,17,18)
InChIKeyGEGIVPRHSUPOJO-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.26
Rot. Bonds6

About 2-[1-(2-chloro-4,5-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid

2-[1-(2-chloro-4,5-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid (PubChem CID 83943685) has the molecular formula C15H19ClO4 and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-[1-(2-chloro-4,5-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(2-chloro-4,5-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
PubChem CID83943685
Molecular FormulaC15H19ClO4
Molecular Weight298.77 g/mol
Exact Mass298.10
IUPAC Name2-[1-(2-chloro-4,5-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
SMILESCOc1cc(Cl)c(CC(C)C2CC2C(=O)O)cc1OC
InChIInChI=1S/C15H19ClO4/c1-8(10-6-11(10)15(17)18)4-9-5-13(19-2)14(20-3)7-12(9)16/h5,7-8,10-11H,4,6H2,1-3H3,(H,17,18)
InChIKeyGEGIVPRHSUPOJO-UHFFFAOYSA-N
XLogP3.26
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3,5-dichloro-4-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83928708
2-[1-(3-chloro-4-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83928582
2-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83928902
2-[1-(2,5-dichlorophenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83931438
2-[1-(2,6-dichlorophenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83925000
3-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)-2-methylpropanoic acid
CID 117462501
2-[1-(2,4-dimethylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83928092
2-amino-3-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)propanoic acid
CID 117482696
2-[1-(2-methyl-4-phenoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83937325
2-[1-(4-methylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83930911
1-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)propan-2-one
CID 117395306
3-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)propanoic acid
CID 117434580

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloro-4,5-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[1-(2-chloro-4,5-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid (CID 83943685) is 2-[1-(2-chloro-4,5-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(2-chloro-4,5-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[1-(2-chloro-4,5-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid is COc1cc(Cl)c(CC(C)C2CC2C(=O)O)cc1OC.
What is the InChIKey of 2-[1-(2-chloro-4,5-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid?
The InChIKey is GEGIVPRHSUPOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO4/c1-8(10-6-11(10)15(17)18)4-9-5-13(19-2)14(20-3)7-12(9)16/h5,7-8,10-11H,4,6H2,1-3H3,(H,17,18).
What are the key properties of 2-[1-(2-chloro-4,5-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid?
2-[1-(2-chloro-4,5-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid has a molecular weight of 298.77 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloro-4,5-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83943685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).