2-(2-bromophenyl)-1-ethyl-3-phenylcyclopropane-1-carboxylic acid

C18H17BrO2 — CID 77464542

IUPAC2-(2-bromophenyl)-1-ethyl-3-phenylcyclopropane-1-carboxylic acid
SMILESCCC1(C(=O)O)C(c2ccccc2)C1c1ccccc1Br
InChIInChI=1S/C18H17BrO2/c1-2-18(17(20)21)15(12-8-4-3-5-9-12)16(18)13-10-6-7-11-14(13)19/h3-11,15-16H,2H2,1H3,(H,20,21)
InChIKeyHEBCMOPQCROCIS-UHFFFAOYSA-N
MW345.24 g/mol
LogP4.81
Rot. Bonds4

About 2-(2-bromophenyl)-1-ethyl-3-phenylcyclopropane-1-carboxylic acid

2-(2-bromophenyl)-1-ethyl-3-phenylcyclopropane-1-carboxylic acid (PubChem CID 77464542) has the molecular formula C18H17BrO2 and a molecular weight of 345.24 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-ethyl-3-phenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-ethyl-3-phenylcyclopropane-1-carboxylic acid
PubChem CID77464542
Molecular FormulaC18H17BrO2
Molecular Weight345.24 g/mol
Exact Mass344.04
IUPAC Name2-(2-bromophenyl)-1-ethyl-3-phenylcyclopropane-1-carboxylic acid
SMILESCCC1(C(=O)O)C(c2ccccc2)C1c1ccccc1Br
InChIInChI=1S/C18H17BrO2/c1-2-18(17(20)21)15(12-8-4-3-5-9-12)16(18)13-10-6-7-11-14(13)19/h3-11,15-16H,2H2,1H3,(H,20,21)
InChIKeyHEBCMOPQCROCIS-UHFFFAOYSA-N
XLogP4.81
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2R,3R)-2-(4-amino-3-bromophenyl)-1-ethyl-3-phenylcyclopropane-1-carboxylic acid
CID 90198644
ethyl 2-(2-bromophenyl)-3-phenylcyclopropane-1-carboxylate
CID 142718704
2-ethylsulfonyl-1-(hydroxymethyl)-3-phenylcyclopropane-1-carboxylic acid
CID 102569112
3-ethyl-2,5,6-trimethyl-4-phenylpiperidine-3,5-dicarboxylic acid
CID 57262586
trans-ethyl (1S,3S)-3-(2-bromophenyl)-2,2-dicyanocyclopropane-1-carboxylate
CID 139180407
(1S,2R,3R)-2-ethylsulfonyl-1-(methoxymethyl)-3-phenylcyclopropane-1-carboxylic acid
CID 124744786
trans-(1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylic acid
CID 70637110
(5S,6R)-6-(2-bromophenyl)-3,3-dimethyl-5-phenyloxane-2,4-dione
CID 7347218
trans-diethyl (2S,3S)-2-methyl-3-phenylcyclopropane-1,1-dicarboxylate
CID 23266686
ethyl 6-(2-bromophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 91210558
(1S,2R,3S)-1-amino-2-ethylsulfonyl-3-phenylcyclopropane-1-carboxylic acid
CID 124744619
trans-(1R,2R)-2-(2-bromophenyl)-1-ethylcyclopropan-1-amine;hydrochloride
CID 90197933

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-ethyl-3-phenylcyclopropane-1-carboxylic acid?
The IUPAC name of 2-(2-bromophenyl)-1-ethyl-3-phenylcyclopropane-1-carboxylic acid (CID 77464542) is 2-(2-bromophenyl)-1-ethyl-3-phenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(2-bromophenyl)-1-ethyl-3-phenylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(2-bromophenyl)-1-ethyl-3-phenylcyclopropane-1-carboxylic acid is CCC1(C(=O)O)C(c2ccccc2)C1c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-1-ethyl-3-phenylcyclopropane-1-carboxylic acid?
The InChIKey is HEBCMOPQCROCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrO2/c1-2-18(17(20)21)15(12-8-4-3-5-9-12)16(18)13-10-6-7-11-14(13)19/h3-11,15-16H,2H2,1H3,(H,20,21).
What are the key properties of 2-(2-bromophenyl)-1-ethyl-3-phenylcyclopropane-1-carboxylic acid?
2-(2-bromophenyl)-1-ethyl-3-phenylcyclopropane-1-carboxylic acid has a molecular weight of 345.24 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-ethyl-3-phenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 77464542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).