methyl 2-[2-[(4-bromophenyl)methyl]cyclopropyl]acetate

C13H15BrO2 — CID 118946963

IUPACmethyl 2-[2-[(4-bromophenyl)methyl]cyclopropyl]acetate
SMILESCOC(=O)CC1CC1Cc1ccc(Br)cc1
InChIInChI=1S/C13H15BrO2/c1-16-13(15)8-11-7-10(11)6-9-2-4-12(14)5-3-9/h2-5,10-11H,6-8H2,1H3
InChIKeyHDKVRUYHKXRXMI-UHFFFAOYSA-N
MW283.17 g/mol
LogP3.19
Rot. Bonds4

About methyl 2-[2-[(4-bromophenyl)methyl]cyclopropyl]acetate

methyl 2-[2-[(4-bromophenyl)methyl]cyclopropyl]acetate (PubChem CID 118946963) has the molecular formula C13H15BrO2 and a molecular weight of 283.17 g/mol. Its IUPAC name is methyl 2-[2-[(4-bromophenyl)methyl]cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(4-bromophenyl)methyl]cyclopropyl]acetate
PubChem CID118946963
Molecular FormulaC13H15BrO2
Molecular Weight283.17 g/mol
Exact Mass282.03
IUPAC Namemethyl 2-[2-[(4-bromophenyl)methyl]cyclopropyl]acetate
SMILESCOC(=O)CC1CC1Cc1ccc(Br)cc1
InChIInChI=1S/C13H15BrO2/c1-16-13(15)8-11-7-10(11)6-9-2-4-12(14)5-3-9/h2-5,10-11H,6-8H2,1H3
InChIKeyHDKVRUYHKXRXMI-UHFFFAOYSA-N
XLogP3.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(4-bromophenyl)methyl]cyclopropyl]acetonitrile
CID 118947152
trans-(1R,2R)-2-[(4-bromophenyl)methyl]cyclopropane-1-carboxylic acid
CID 99939597
1-bromo-4-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene
CID 160773433
methyl 2-[1-[(4-bromophenyl)methyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]acetate
CID 63276891
methyl 2-[1-[(4-bromophenyl)methyl]piperidin-4-yl]acetate
CID 83983260
3-[(4-bromophenyl)methyl]cyclobutane-1-carboxylic acid
CID 83663181
methyl 2-[1-[(4-bromophenyl)methoxy]cyclobutyl]acetate
CID 103272838
methyl 2-[(1R,2R,3S,5R,6S)-3-benzyl-6-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]acetate
CID 10591458
methyl 2-[1-[(4-bromophenyl)methylsulfonylmethyl]cyclopropyl]acetate
CID 107776726
1-[2-[(4-bromophenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 81016958
tert-butyl N-[3-[(4-bromophenyl)methyl]cyclobutyl]carbamate
CID 167738140
1-bromo-4-(bromomethyl)benzene;dimethyl 2-[(4-bromophenyl)methyl]propanedioate;dimethyl propanedioate
CID 158813756

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(4-bromophenyl)methyl]cyclopropyl]acetate?
The IUPAC name of methyl 2-[2-[(4-bromophenyl)methyl]cyclopropyl]acetate (CID 118946963) is methyl 2-[2-[(4-bromophenyl)methyl]cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[2-[(4-bromophenyl)methyl]cyclopropyl]acetate?
The canonical SMILES for methyl 2-[2-[(4-bromophenyl)methyl]cyclopropyl]acetate is COC(=O)CC1CC1Cc1ccc(Br)cc1.
What is the InChIKey of methyl 2-[2-[(4-bromophenyl)methyl]cyclopropyl]acetate?
The InChIKey is HDKVRUYHKXRXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO2/c1-16-13(15)8-11-7-10(11)6-9-2-4-12(14)5-3-9/h2-5,10-11H,6-8H2,1H3.
What are the key properties of methyl 2-[2-[(4-bromophenyl)methyl]cyclopropyl]acetate?
methyl 2-[2-[(4-bromophenyl)methyl]cyclopropyl]acetate has a molecular weight of 283.17 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(4-bromophenyl)methyl]cyclopropyl]acetate is sourced from PubChem (CID 118946963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).