trans-(1S,2R)-1-methyl-2-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxylic acid

C15H20O2 — CID 178202546

IUPACtrans-(1S,2R)-1-methyl-2-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxylic acid
SMILESCC(C)Cc1ccc([C@H]2C[C@]2(C)C(=O)O)cc1
InChIInChI=1S/C15H20O2/c1-10(2)8-11-4-6-12(7-5-11)13-9-15(13,3)14(16)17/h4-7,10,13H,8-9H2,1-3H3,(H,16,17)/t13-,15+/m1/s1
InChIKeyWKPVDSRRRIVDPT-HIFRSBDPSA-N
MW232.32 g/mol
LogP3.46
Rot. Bonds4

About trans-(1S,2R)-1-methyl-2-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxylic acid

trans-(1S,2R)-1-methyl-2-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 178202546) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is trans-(1S,2R)-1-methyl-2-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2R)-1-methyl-2-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxylic acid
PubChem CID178202546
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Nametrans-(1S,2R)-1-methyl-2-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxylic acid
SMILESCC(C)Cc1ccc([C@H]2C[C@]2(C)C(=O)O)cc1
InChIInChI=1S/C15H20O2/c1-10(2)8-11-4-6-12(7-5-11)13-9-15(13,3)14(16)17/h4-7,10,13H,8-9H2,1-3H3,(H,16,17)/t13-,15+/m1/s1
InChIKeyWKPVDSRRRIVDPT-HIFRSBDPSA-N
XLogP3.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-ethoxyphenyl)-1-methylcyclopropane-1-carboxylic acid
CID 82114341
trans-(1R,2R)-2-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxylic acid
CID 94682447
(2,2-dimethylcyclopropyl)-[4-(2-methylpropyl)phenyl]methanone
CID 107000654
2-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 13406788
(1S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]sulfanyl-1-methyl-2-phenylcyclopropane-1-carboxamide
CID 143923912
trans-(1S,2R)-1-methyl-2-phenyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide
CID 102327290
1-[[4-(2-methylpropyl)anilino]methyl]cyclopropane-1-carboxylic acid
CID 115242698
[2-methyl-2-[4-(2-methylpropyl)phenyl]cyclopropyl]methanol
CID 81357565
1-[4-(2-methylpropyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine
CID 101376934
3-methyl-4-[4-(2-methyl-3-oxobutyl)phenyl]butan-2-one
CID 19020081
CID 175760114
CID 175760114
4-(2-methylpropyl)phenol;propanoic acid
CID 174874916

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-1-methyl-2-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1S,2R)-1-methyl-2-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxylic acid (CID 178202546) is trans-(1S,2R)-1-methyl-2-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2R)-1-methyl-2-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2R)-1-methyl-2-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxylic acid is CC(C)Cc1ccc([C@H]2C[C@]2(C)C(=O)O)cc1.
What is the InChIKey of trans-(1S,2R)-1-methyl-2-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is WKPVDSRRRIVDPT-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H20O2/c1-10(2)8-11-4-6-12(7-5-11)13-9-15(13,3)14(16)17/h4-7,10,13H,8-9H2,1-3H3,(H,16,17)/t13-,15+/m1/s1.
What are the key properties of trans-(1S,2R)-1-methyl-2-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxylic acid?
trans-(1S,2R)-1-methyl-2-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 232.32 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-1-methyl-2-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 178202546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).