1-(3-bromopropyl)-2-chloro-4-methoxybenzene

C10H12BrClO — CID 83942409

IUPAC1-(3-bromopropyl)-2-chloro-4-methoxybenzene
SMILESCOc1ccc(CCCBr)c(Cl)c1
InChIInChI=1S/C10H12BrClO/c1-13-9-5-4-8(3-2-6-11)10(12)7-9/h4-5,7H,2-3,6H2,1H3
InChIKeyLZFQSJQLQMAPTA-UHFFFAOYSA-N
MW263.56 g/mol
LogP3.68
Rot. Bonds4

About 1-(3-bromopropyl)-2-chloro-4-methoxybenzene

1-(3-bromopropyl)-2-chloro-4-methoxybenzene (PubChem CID 83942409) has the molecular formula C10H12BrClO and a molecular weight of 263.56 g/mol. Its IUPAC name is 1-(3-bromopropyl)-2-chloro-4-methoxybenzene.

Molecular Properties

Compound Name1-(3-bromopropyl)-2-chloro-4-methoxybenzene
PubChem CID83942409
Molecular FormulaC10H12BrClO
Molecular Weight263.56 g/mol
Exact Mass261.98
IUPAC Name1-(3-bromopropyl)-2-chloro-4-methoxybenzene
SMILESCOc1ccc(CCCBr)c(Cl)c1
InChIInChI=1S/C10H12BrClO/c1-13-9-5-4-8(3-2-6-11)10(12)7-9/h4-5,7H,2-3,6H2,1H3
InChIKeyLZFQSJQLQMAPTA-UHFFFAOYSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.56
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromopropyl)-1-chloro-4-methoxybenzene
CID 22923967
2-(2-chloro-4-methoxyphenyl)ethanol
CID 66697098
N'-[2-(2-chloro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195439
(2-chloro-4-methoxyphenyl)methanamine
CID 22467642
4-(2-chloro-4-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine
CID 65303527
4-[2-(2-chloro-4-methoxyphenyl)ethylamino]butan-1-ol
CID 115217795
1-(3-bromopropyl)-6-methoxynaphthalene
CID 11514645
4-(2-chloro-4-methoxyphenyl)-2,2-dimethylbutan-1-amine
CID 65305189
2-chloro-4-methoxy-1-(2,2,2-trifluoroethyl)benzene
CID 116932163
2-(2-chloro-4-methoxyphenyl)acetaldehyde
CID 55274760
2-(2-chloro-4-methoxyphenyl)ethylcarbamic acid
CID 115171143
4-(2-chloro-4-methoxyphenyl)-N,2,2-trimethylbutan-1-amine
CID 65306448

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopropyl)-2-chloro-4-methoxybenzene?
The IUPAC name of 1-(3-bromopropyl)-2-chloro-4-methoxybenzene (CID 83942409) is 1-(3-bromopropyl)-2-chloro-4-methoxybenzene.
What is the SMILES notation for 1-(3-bromopropyl)-2-chloro-4-methoxybenzene?
The canonical SMILES for 1-(3-bromopropyl)-2-chloro-4-methoxybenzene is COc1ccc(CCCBr)c(Cl)c1.
What is the InChIKey of 1-(3-bromopropyl)-2-chloro-4-methoxybenzene?
The InChIKey is LZFQSJQLQMAPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClO/c1-13-9-5-4-8(3-2-6-11)10(12)7-9/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 1-(3-bromopropyl)-2-chloro-4-methoxybenzene?
1-(3-bromopropyl)-2-chloro-4-methoxybenzene has a molecular weight of 263.56 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopropyl)-2-chloro-4-methoxybenzene is sourced from PubChem (CID 83942409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).