1-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxylic acid

C14H18O2 — CID 82285493

IUPAC1-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxylic acid
SMILESCc1cc(C)c(C)c(C2(C(=O)O)CC2)c1C
InChIInChI=1S/C14H18O2/c1-8-7-9(2)11(4)12(10(8)3)14(5-6-14)13(15)16/h7H,5-6H2,1-4H3,(H,15,16)
InChIKeySVMUYJAOGSKLMS-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.04
Rot. Bonds2

About 1-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxylic acid

1-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 82285493) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxylic acid
PubChem CID82285493
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxylic acid
SMILESCc1cc(C)c(C)c(C2(C(=O)O)CC2)c1C
InChIInChI=1S/C14H18O2/c1-8-7-9(2)11(4)12(10(8)3)14(5-6-14)13(15)16/h7H,5-6H2,1-4H3,(H,15,16)
InChIKeySVMUYJAOGSKLMS-UHFFFAOYSA-N
XLogP3.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4,5-trimethylphenyl)cyclopentane-1-carboxylic acid
CID 117336685
1-(2-fluoro-6-methoxy-3,5-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 84799157
1-(3-chloro-2-methoxy-4,6-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 117389831
1-(2-chloro-3,6-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 84789863
1-(3-bromo-6-methoxy-2,4-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 138473188
1-(3-bromo-2-hydroxy-4,5-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 117458823
1-(6-bromo-2,3-dimethylphenyl)cyclopentane-1-carboxylic acid
CID 117478644
1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopropane-1-carboxylic acid
CID 117469962
4-(2,4,6-trimethylphenyl)piperidine-4-carboxylic acid
CID 82086541
1-(2,5-difluoro-3,6-dimethylphenyl)cyclopentane-1-carboxylic acid
CID 117388765
1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)cyclopropane-1-carboxylic acid
CID 117363584
1-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropane-1-carboxylic acid
CID 117373353

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxylic acid (CID 82285493) is 1-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxylic acid is Cc1cc(C)c(C)c(C2(C(=O)O)CC2)c1C.
What is the InChIKey of 1-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is SVMUYJAOGSKLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-8-7-9(2)11(4)12(10(8)3)14(5-6-14)13(15)16/h7H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 1-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxylic acid?
1-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 218.30 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82285493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).