(1-methylcyclopentyl) 2-bromo-5-ethenylbenzoate

C15H17BrO2 — CID 176819971

IUPAC(1-methylcyclopentyl) 2-bromo-5-ethenylbenzoate
SMILESC=Cc1ccc(Br)c(C(=O)OC2(C)CCCC2)c1
InChIInChI=1S/C15H17BrO2/c1-3-11-6-7-13(16)12(10-11)14(17)18-15(2)8-4-5-9-15/h3,6-7,10H,1,4-5,8-9H2,2H3
InChIKeyIXVRLUYUTKXKQI-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.58
Rot. Bonds3

About (1-methylcyclopentyl) 2-bromo-5-ethenylbenzoate

(1-methylcyclopentyl) 2-bromo-5-ethenylbenzoate (PubChem CID 176819971) has the molecular formula C15H17BrO2 and a molecular weight of 309.20 g/mol. Its IUPAC name is (1-methylcyclopentyl) 2-bromo-5-ethenylbenzoate.

Molecular Properties

Compound Name(1-methylcyclopentyl) 2-bromo-5-ethenylbenzoate
PubChem CID176819971
Molecular FormulaC15H17BrO2
Molecular Weight309.20 g/mol
Exact Mass308.04
IUPAC Name(1-methylcyclopentyl) 2-bromo-5-ethenylbenzoate
SMILESC=Cc1ccc(Br)c(C(=O)OC2(C)CCCC2)c1
InChIInChI=1S/C15H17BrO2/c1-3-11-6-7-13(16)12(10-11)14(17)18-15(2)8-4-5-9-15/h3,6-7,10H,1,4-5,8-9H2,2H3
InChIKeyIXVRLUYUTKXKQI-UHFFFAOYSA-N
XLogP4.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-methylcyclopentyl) 4-ethenyl-2-methoxybenzoate
CID 170048804
(1-methylcyclopentyl) 2-ethenyl-5-iodobenzoate
CID 176819944
(1-methylcyclohex-2-en-1-yl) 5-ethenyl-2-hydroxybenzoate
CID 170137242
[1-(4-fluorophenyl)cyclopentyl] 5-ethenyl-2-hydroxybenzoate
CID 164974517
2-(1-methylcyclohexyl)oxycarbonylbenzoic acid
CID 11747408
(1-methylcyclohexyl) 4-bromo-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CID 147182672
(1-naphthalen-2-ylcyclopentyl) 5-ethenyl-2-hydroxybenzoate
CID 165100881
(1-prop-1-ynylcyclopentyl) 4-ethenyl-2-(hydroxymethyl)benzoate
CID 177132360
1-ethenyl-4-(1-methylcyclopentyl)oxybenzene
CID 19350374
methyl 5-ethenyl-2-methylbenzoate
CID 10702422
(1-methylcyclopentyl) 1,2-dimethyl-1,2-dihydroacenaphthylene-5-carboxylate
CID 177097512
2-bromo-5-methyl-N-(1-methylcyclopentyl)benzamide
CID 80987670

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopentyl) 2-bromo-5-ethenylbenzoate?
The IUPAC name of (1-methylcyclopentyl) 2-bromo-5-ethenylbenzoate (CID 176819971) is (1-methylcyclopentyl) 2-bromo-5-ethenylbenzoate.
What is the SMILES notation for (1-methylcyclopentyl) 2-bromo-5-ethenylbenzoate?
The canonical SMILES for (1-methylcyclopentyl) 2-bromo-5-ethenylbenzoate is C=Cc1ccc(Br)c(C(=O)OC2(C)CCCC2)c1.
What is the InChIKey of (1-methylcyclopentyl) 2-bromo-5-ethenylbenzoate?
The InChIKey is IXVRLUYUTKXKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrO2/c1-3-11-6-7-13(16)12(10-11)14(17)18-15(2)8-4-5-9-15/h3,6-7,10H,1,4-5,8-9H2,2H3.
What are the key properties of (1-methylcyclopentyl) 2-bromo-5-ethenylbenzoate?
(1-methylcyclopentyl) 2-bromo-5-ethenylbenzoate has a molecular weight of 309.20 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopentyl) 2-bromo-5-ethenylbenzoate is sourced from PubChem (CID 176819971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).