2-[1-(3-bromophenyl)cyclopentyl]acetic acid

C13H15BrO2 — CID 68971554

IUPAC2-[1-(3-bromophenyl)cyclopentyl]acetic acid
SMILESO=C(O)CC1(c2cccc(Br)c2)CCCC1
InChIInChI=1S/C13H15BrO2/c14-11-5-3-4-10(8-11)13(9-12(15)16)6-1-2-7-13/h3-5,8H,1-2,6-7,9H2,(H,15,16)
InChIKeyGMUWEOLFMRTSDL-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.74
Rot. Bonds3

About 2-[1-(3-bromophenyl)cyclopentyl]acetic acid

2-[1-(3-bromophenyl)cyclopentyl]acetic acid (PubChem CID 68971554) has the molecular formula C13H15BrO2 and a molecular weight of 283.16 g/mol. Its IUPAC name is 2-[1-(3-bromophenyl)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-bromophenyl)cyclopentyl]acetic acid
PubChem CID68971554
Molecular FormulaC13H15BrO2
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name2-[1-(3-bromophenyl)cyclopentyl]acetic acid
SMILESO=C(O)CC1(c2cccc(Br)c2)CCCC1
InChIInChI=1S/C13H15BrO2/c14-11-5-3-4-10(8-11)13(9-12(15)16)6-1-2-7-13/h3-5,8H,1-2,6-7,9H2,(H,15,16)
InChIKeyGMUWEOLFMRTSDL-UHFFFAOYSA-N
XLogP3.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
CID 117107682
O-[[1-(3-bromophenyl)cyclopentyl]methyl]hydroxylamine
CID 83693924
2-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetic acid
CID 66748836
ethane;2-[1-(3-methylphenyl)cyclopropyl]acetic acid
CID 170751280
1-[[2-[1-(3-bromophenyl)cyclobutyl]acetyl]amino]-3-methylthiourea
CID 139349820
1-(3-bromophenyl)cyclobutane-1-carboxylic acid
CID 16769973
1-[1-(3-bromophenyl)cycloheptyl]-N-methylmethanamine
CID 63512242
2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid
CID 82077265
2-[1-(4-aminophenyl)cyclopentyl]acetic acid
CID 21077926
4-[[1-(3-bromophenyl)cyclobutyl]methylamino]cyclohexane-1-carboxylic acid
CID 122030570
5-[[1-(3-bromophenyl)cyclohexyl]amino]pentanoic acid
CID 122121818
2-[1-(4-bromo-3-methylphenyl)cyclopropyl]acetic acid
CID 84808527

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromophenyl)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(3-bromophenyl)cyclopentyl]acetic acid (CID 68971554) is 2-[1-(3-bromophenyl)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(3-bromophenyl)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(3-bromophenyl)cyclopentyl]acetic acid is O=C(O)CC1(c2cccc(Br)c2)CCCC1.
What is the InChIKey of 2-[1-(3-bromophenyl)cyclopentyl]acetic acid?
The InChIKey is GMUWEOLFMRTSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO2/c14-11-5-3-4-10(8-11)13(9-12(15)16)6-1-2-7-13/h3-5,8H,1-2,6-7,9H2,(H,15,16).
What are the key properties of 2-[1-(3-bromophenyl)cyclopentyl]acetic acid?
2-[1-(3-bromophenyl)cyclopentyl]acetic acid has a molecular weight of 283.16 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromophenyl)cyclopentyl]acetic acid is sourced from PubChem (CID 68971554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).