2-(2-bromophenyl)-2-cycloheptylacetic acid

C15H19BrO2 — CID 82929403

IUPAC2-(2-bromophenyl)-2-cycloheptylacetic acid
SMILESO=C(O)C(c1ccccc1Br)C1CCCCCC1
InChIInChI=1S/C15H19BrO2/c16-13-10-6-5-9-12(13)14(15(17)18)11-7-3-1-2-4-8-11/h5-6,9-11,14H,1-4,7-8H2,(H,17,18)
InChIKeySVHXAHIOOORTDV-UHFFFAOYSA-N
MW311.22 g/mol
LogP4.59
Rot. Bonds3

About 2-(2-bromophenyl)-2-cycloheptylacetic acid

2-(2-bromophenyl)-2-cycloheptylacetic acid (PubChem CID 82929403) has the molecular formula C15H19BrO2 and a molecular weight of 311.22 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-cycloheptylacetic acid.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-cycloheptylacetic acid
PubChem CID82929403
Molecular FormulaC15H19BrO2
Molecular Weight311.22 g/mol
Exact Mass310.06
IUPAC Name2-(2-bromophenyl)-2-cycloheptylacetic acid
SMILESO=C(O)C(c1ccccc1Br)C1CCCCCC1
InChIInChI=1S/C15H19BrO2/c16-13-10-6-5-9-12(13)14(15(17)18)11-7-3-1-2-4-8-11/h5-6,9-11,14H,1-4,7-8H2,(H,17,18)
InChIKeySVHXAHIOOORTDV-UHFFFAOYSA-N
XLogP4.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexyl-2-(2-hydroxyphenyl)acetic acid
CID 22178850
(2S)-2-(2-bromophenyl)-2-[(2R)-pyrrolidin-2-yl]acetic acid
CID 178194212
2-cyclobutyl-2-(2-methylphenyl)acetic acid
CID 83687024
2-(2-bromophenyl)-2-(2-phenylcyclopropyl)acetic acid
CID 116516668
(2S)-2-(4-bromo-2-fluorophenyl)-2-cyclopentylacetic acid
CID 125466606
2-(2-bromophenyl)sulfonyl-2-cyclohexylacetic acid
CID 82932916
2-(2-bromophenyl)sulfonyl-2-cycloheptylacetic acid
CID 82932727
2-(2-bromofuran-3-yl)-2-cyclopropylacetic acid
CID 82664923
3-amino-2-(2-bromophenyl)-1-cyclohexylpropan-1-ol
CID 65189456
2-cyclohexyl-2-phenylethanethioamide
CID 82082945
(2R)-2-cyclohexyl-2-phenylacetate
CID 6931336
(2S)-2-(4-bromo-3-chlorophenyl)-2-cyclopentylacetic acid
CID 125466613

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-cycloheptylacetic acid?
The IUPAC name of 2-(2-bromophenyl)-2-cycloheptylacetic acid (CID 82929403) is 2-(2-bromophenyl)-2-cycloheptylacetic acid.
What is the SMILES notation for 2-(2-bromophenyl)-2-cycloheptylacetic acid?
The canonical SMILES for 2-(2-bromophenyl)-2-cycloheptylacetic acid is O=C(O)C(c1ccccc1Br)C1CCCCCC1.
What is the InChIKey of 2-(2-bromophenyl)-2-cycloheptylacetic acid?
The InChIKey is SVHXAHIOOORTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO2/c16-13-10-6-5-9-12(13)14(15(17)18)11-7-3-1-2-4-8-11/h5-6,9-11,14H,1-4,7-8H2,(H,17,18).
What are the key properties of 2-(2-bromophenyl)-2-cycloheptylacetic acid?
2-(2-bromophenyl)-2-cycloheptylacetic acid has a molecular weight of 311.22 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-cycloheptylacetic acid is sourced from PubChem (CID 82929403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).