trans-(1R,2R)-2-[(4-bromophenyl)methyl]cyclopropane-1-carboxylic acid

C11H11BrO2 — CID 99939597

IUPACtrans-(1R,2R)-2-[(4-bromophenyl)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H]1Cc1ccc(Br)cc1
InChIInChI=1S/C11H11BrO2/c12-9-3-1-7(2-4-9)5-8-6-10(8)11(13)14/h1-4,8,10H,5-6H2,(H,13,14)/t8-,10+/m0/s1
InChIKeyDHBXXMOQZGFJMQ-WCBMZHEXSA-N
MW255.11 g/mol
LogP2.71
Rot. Bonds3

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

trans-(1R,2R)-2-[(4-bromophenyl)methyl]cyclopropane-1-carboxylic acid (PubChem CID 99939597) has the molecular formula C11H11BrO2 and a molecular weight of 255.11 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(4-bromophenyl)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(4-bromophenyl)methyl]cyclopropane-1-carboxylic acid
PubChem CID99939597
Molecular FormulaC11H11BrO2
Molecular Weight255.11 g/mol
Exact Mass253.99
IUPAC Nametrans-(1R,2R)-2-[(4-bromophenyl)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H]1Cc1ccc(Br)cc1
InChIInChI=1S/C11H11BrO2/c12-9-3-1-7(2-4-9)5-8-6-10(8)11(13)14/h1-4,8,10H,5-6H2,(H,13,14)/t8-,10+/m0/s1
InChIKeyDHBXXMOQZGFJMQ-WCBMZHEXSA-N
XLogP2.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-2-Phenylcyclopropanecarboxylic acid
CID 237413
Benzeneacetic acid, 4-bromo-
CID 74654
2-Bromophenylacetic acid
CID 87754
3-(4-Bromophenyl)propionic acid
CID 2735609
3-(4-Bromobenzoyl)propionic acid
CID 80646
2-Phenyl-1-cyclopropanecarboxylic acid, (1S-trans)-
CID 778517
3-(2-Bromophenyl)propionic acid
CID 316010
2,3-Dibromo-3-phenylpropionic acid
CID 22705
2-Phenylcyclopropane-1-carboxylic acid
CID 70323
(3-Bromophenyl)acetic acid
CID 74653
4-(4-Bromophenyl)butyric Acid
CID 252732
Methyl 2-(4-bromophenyl)acetate
CID 316783

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(4-bromophenyl)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-[(4-bromophenyl)methyl]cyclopropane-1-carboxylic acid (CID 99939597) is trans-(1R,2R)-2-[(4-bromophenyl)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-[(4-bromophenyl)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-[(4-bromophenyl)methyl]cyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@@H]1Cc1ccc(Br)cc1.
What is the InChIKey of trans-(1R,2R)-2-[(4-bromophenyl)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is DHBXXMOQZGFJMQ-WCBMZHEXSA-N. The full InChI is InChI=1S/C11H11BrO2/c12-9-3-1-7(2-4-9)5-8-6-10(8)11(13)14/h1-4,8,10H,5-6H2,(H,13,14)/t8-,10+/m0/s1.
What are the key properties of trans-(1R,2R)-2-[(4-bromophenyl)methyl]cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-[(4-bromophenyl)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 255.11 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(4-bromophenyl)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 99939597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).