cis-(1R,2S)-2-[(4-propylphenyl)methyl]cyclopropane-1-carboxylic acid

C14H18O2 — CID 99993212

IUPACcis-(1R,2S)-2-[(4-propylphenyl)methyl]cyclopropane-1-carboxylic acid
SMILESCCCc1ccc(C[C@@H]2C[C@H]2C(=O)O)cc1
InChIInChI=1S/C14H18O2/c1-2-3-10-4-6-11(7-5-10)8-12-9-13(12)14(15)16/h4-7,12-13H,2-3,8-9H2,1H3,(H,15,16)/t12-,13-/m1/s1
InChIKeySTLVKYXJZKBASY-CHWSQXEVSA-N
MW218.30 g/mol
LogP2.90
Rot. Bonds5

About cis-(1R,2S)-2-[(4-propylphenyl)methyl]cyclopropane-1-carboxylic acid

cis-(1R,2S)-2-[(4-propylphenyl)methyl]cyclopropane-1-carboxylic acid (PubChem CID 99993212) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(4-propylphenyl)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(4-propylphenyl)methyl]cyclopropane-1-carboxylic acid
PubChem CID99993212
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Namecis-(1R,2S)-2-[(4-propylphenyl)methyl]cyclopropane-1-carboxylic acid
SMILESCCCc1ccc(C[C@@H]2C[C@H]2C(=O)O)cc1
InChIInChI=1S/C14H18O2/c1-2-3-10-4-6-11(7-5-10)8-12-9-13(12)14(15)16/h4-7,12-13H,2-3,8-9H2,1H3,(H,15,16)/t12-,13-/m1/s1
InChIKeySTLVKYXJZKBASY-CHWSQXEVSA-N
XLogP2.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,2S)-2-benzylcyclopropane-1-carboxylic acid
CID 10487497
trans-(1R,2R)-2-[(4-bromophenyl)methyl]cyclopropane-1-carboxylic acid
CID 99939597
2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]cyclopropane-1-carboxylic acid
CID 174619845
2-[(4-chlorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 81021533
trans-(1R,2R)-2-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid
CID 99993220
2-[2-(4-aminophenyl)ethyl]cyclopropane-1-carboxylic acid
CID 112718089
4-ethyl-2-(4-propylbenzoyl)cyclopentane-1-carboxylic acid
CID 114512492
(1R)-2-(2-phenylethyl)cyclopropane-1-carboxylic acid
CID 67182121
(1R,2S,4S,5S)-2-benzyl-4,5-dibromocyclohexane-1-carboxylic acid
CID 98246158
trans-(1R,2S)-2-[2-(4-iodophenyl)ethyl]cyclopropane-1-carboxylic acid
CID 130404266
2-[(4-fluorophenyl)methyl]cyclobutane-1-carboxylic acid
CID 81009457
2-(2-benzylcyclopropyl)-2-oxoacetamide
CID 57160857

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(4-propylphenyl)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-[(4-propylphenyl)methyl]cyclopropane-1-carboxylic acid (CID 99993212) is cis-(1R,2S)-2-[(4-propylphenyl)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-[(4-propylphenyl)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-[(4-propylphenyl)methyl]cyclopropane-1-carboxylic acid is CCCc1ccc(C[C@@H]2C[C@H]2C(=O)O)cc1.
What is the InChIKey of cis-(1R,2S)-2-[(4-propylphenyl)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is STLVKYXJZKBASY-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H18O2/c1-2-3-10-4-6-11(7-5-10)8-12-9-13(12)14(15)16/h4-7,12-13H,2-3,8-9H2,1H3,(H,15,16)/t12-,13-/m1/s1.
What are the key properties of cis-(1R,2S)-2-[(4-propylphenyl)methyl]cyclopropane-1-carboxylic acid?
cis-(1R,2S)-2-[(4-propylphenyl)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 218.30 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(4-propylphenyl)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 99993212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).