trans-(1R,2R)-2-(4-ethoxyphenyl)cyclopropane-1-carboxylic acid

C12H14O3 — CID 39058010

IUPACtrans-(1R,2R)-2-(4-ethoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCCOc1ccc([C@@H]2C[C@H]2C(=O)O)cc1
InChIInChI=1S/C12H14O3/c1-2-15-9-5-3-8(4-6-9)10-7-11(10)12(13)14/h3-6,10-11H,2,7H2,1H3,(H,13,14)/t10-,11+/m0/s1
InChIKeyLPXOGNLUMUAOSY-WDEREUQCSA-N
MW206.24 g/mol
LogP2.27
Rot. Bonds4

About trans-(1R,2R)-2-(4-ethoxyphenyl)cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-(4-ethoxyphenyl)cyclopropane-1-carboxylic acid (PubChem CID 39058010) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-ethoxyphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-ethoxyphenyl)cyclopropane-1-carboxylic acid
PubChem CID39058010
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Nametrans-(1R,2R)-2-(4-ethoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCCOc1ccc([C@@H]2C[C@H]2C(=O)O)cc1
InChIInChI=1S/C12H14O3/c1-2-15-9-5-3-8(4-6-9)10-7-11(10)12(13)14/h3-6,10-11H,2,7H2,1H3,(H,13,14)/t10-,11+/m0/s1
InChIKeyLPXOGNLUMUAOSY-WDEREUQCSA-N
XLogP2.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-ethoxyphenyl)cyclopropyl]-phenylmethanone
CID 14939960
2-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]cyclopropane-1-carboxylic acid
CID 82228535
2-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid
CID 21190507
2-[1-(4-ethoxyphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
CID 82366586
trans-ethyl (1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate
CID 66714771
2-(4-methylphenyl)cyclopropane-1-carboxylic acid
CID 23423017
carbonochloridic acid;1-(2,2-dichlorocyclopropyl)-4-ethoxybenzene
CID 88752669
ethyl 2-phenylcyclopropane-1-carboxylate;2-phenylcyclopropane-1-carboxylic acid
CID 70636165
cis-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid
CID 51888095
3-(4-ethoxyphenyl)-2-ethylcyclobutan-1-ol
CID 81416198
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
(1R)-2-(4-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 105437337

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4-ethoxyphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-(4-ethoxyphenyl)cyclopropane-1-carboxylic acid (CID 39058010) is trans-(1R,2R)-2-(4-ethoxyphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-(4-ethoxyphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-(4-ethoxyphenyl)cyclopropane-1-carboxylic acid is CCOc1ccc([C@@H]2C[C@H]2C(=O)O)cc1.
What is the InChIKey of trans-(1R,2R)-2-(4-ethoxyphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is LPXOGNLUMUAOSY-WDEREUQCSA-N. The full InChI is InChI=1S/C12H14O3/c1-2-15-9-5-3-8(4-6-9)10-7-11(10)12(13)14/h3-6,10-11H,2,7H2,1H3,(H,13,14)/t10-,11+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(4-ethoxyphenyl)cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-(4-ethoxyphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 206.24 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(4-ethoxyphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 39058010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).