1-(1-bromo-2-cyclopropylethyl)-2-chloro-4,5-diethoxybenzene

C15H20BrClO2 — CID 63444637

IUPAC1-(1-bromo-2-cyclopropylethyl)-2-chloro-4,5-diethoxybenzene
SMILESCCOc1cc(Cl)c(C(Br)CC2CC2)cc1OCC
InChIInChI=1S/C15H20BrClO2/c1-3-18-14-8-11(12(16)7-10-5-6-10)13(17)9-15(14)19-4-2/h8-10,12H,3-7H2,1-2H3
InChIKeyIOUJVLLIDNDWMS-UHFFFAOYSA-N
MW347.68 g/mol
LogP5.37
Rot. Bonds7

About 1-(1-bromo-2-cyclopropylethyl)-2-chloro-4,5-diethoxybenzene

1-(1-bromo-2-cyclopropylethyl)-2-chloro-4,5-diethoxybenzene (PubChem CID 63444637) has the molecular formula C15H20BrClO2 and a molecular weight of 347.68 g/mol. Its IUPAC name is 1-(1-bromo-2-cyclopropylethyl)-2-chloro-4,5-diethoxybenzene.

Molecular Properties

Compound Name1-(1-bromo-2-cyclopropylethyl)-2-chloro-4,5-diethoxybenzene
PubChem CID63444637
Molecular FormulaC15H20BrClO2
Molecular Weight347.68 g/mol
Exact Mass346.03
IUPAC Name1-(1-bromo-2-cyclopropylethyl)-2-chloro-4,5-diethoxybenzene
SMILESCCOc1cc(Cl)c(C(Br)CC2CC2)cc1OCC
InChIInChI=1S/C15H20BrClO2/c1-3-18-14-8-11(12(16)7-10-5-6-10)13(17)9-15(14)19-4-2/h8-10,12H,3-7H2,1-2H3
InChIKeyIOUJVLLIDNDWMS-UHFFFAOYSA-N
XLogP5.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.68
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-4,5-diethoxyphenyl)-cyclopropylmethanol
CID 61083158
1-(1-bromo-3,3,3-trifluoropropyl)-2-chloro-4,5-diethoxybenzene
CID 63445001
2-(1-bromo-2-cyclopropylethyl)-1,4-dichlorobenzene
CID 63444578
2-[bromo-(2-chloro-4,5-diethoxyphenyl)methyl]-5-methyloxolane
CID 81329757
(2-chloro-4,5-diethoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine
CID 107000928
[2-bromo-2-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cycloheptane
CID 114458761
1-chloro-4,5-diethoxy-2-hex-5-en-3-ylbenzene
CID 83943763
4-(1-bromo-2-cyclopentylethyl)-2-chloro-1-methoxybenzene
CID 63439505
1-(1-bromo-2-cyclohexylethyl)-4-ethoxybenzene
CID 63437137
N-[(2-chloro-4,5-diethoxyphenyl)methyl]cyclooctanamine
CID 66532386
1-chloro-2-(1-chloro-3-methylpentyl)-4,5-diethoxybenzene
CID 114876048
1-(1-bromo-2,2-difluoroethyl)-2,5-dichloro-4-ethoxybenzene
CID 103514645

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-2-cyclopropylethyl)-2-chloro-4,5-diethoxybenzene?
The IUPAC name of 1-(1-bromo-2-cyclopropylethyl)-2-chloro-4,5-diethoxybenzene (CID 63444637) is 1-(1-bromo-2-cyclopropylethyl)-2-chloro-4,5-diethoxybenzene.
What is the SMILES notation for 1-(1-bromo-2-cyclopropylethyl)-2-chloro-4,5-diethoxybenzene?
The canonical SMILES for 1-(1-bromo-2-cyclopropylethyl)-2-chloro-4,5-diethoxybenzene is CCOc1cc(Cl)c(C(Br)CC2CC2)cc1OCC.
What is the InChIKey of 1-(1-bromo-2-cyclopropylethyl)-2-chloro-4,5-diethoxybenzene?
The InChIKey is IOUJVLLIDNDWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClO2/c1-3-18-14-8-11(12(16)7-10-5-6-10)13(17)9-15(14)19-4-2/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 1-(1-bromo-2-cyclopropylethyl)-2-chloro-4,5-diethoxybenzene?
1-(1-bromo-2-cyclopropylethyl)-2-chloro-4,5-diethoxybenzene has a molecular weight of 347.68 g/mol, XLogP of 5.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-2-cyclopropylethyl)-2-chloro-4,5-diethoxybenzene is sourced from PubChem (CID 63444637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).