2-[(3-bromo-5-chloro-2-methoxyphenyl)-chloromethyl]-5-ethylthiophene

C14H13BrCl2OS — CID 63430917

IUPAC2-[(3-bromo-5-chloro-2-methoxyphenyl)-chloromethyl]-5-ethylthiophene
SMILESCCc1ccc(C(Cl)c2cc(Cl)cc(Br)c2OC)s1
InChIInChI=1S/C14H13BrCl2OS/c1-3-9-4-5-12(19-9)13(17)10-6-8(16)7-11(15)14(10)18-2/h4-7,13H,3H2,1-2H3
InChIKeyKGFSFGSDZRTZKX-UHFFFAOYSA-N
MW380.13 g/mol
LogP6.06
Rot. Bonds4

About 2-[(3-bromo-5-chloro-2-methoxyphenyl)-chloromethyl]-5-ethylthiophene

2-[(3-bromo-5-chloro-2-methoxyphenyl)-chloromethyl]-5-ethylthiophene (PubChem CID 63430917) has the molecular formula C14H13BrCl2OS and a molecular weight of 380.13 g/mol. Its IUPAC name is 2-[(3-bromo-5-chloro-2-methoxyphenyl)-chloromethyl]-5-ethylthiophene.

Molecular Properties

Compound Name2-[(3-bromo-5-chloro-2-methoxyphenyl)-chloromethyl]-5-ethylthiophene
PubChem CID63430917
Molecular FormulaC14H13BrCl2OS
Molecular Weight380.13 g/mol
Exact Mass377.92
IUPAC Name2-[(3-bromo-5-chloro-2-methoxyphenyl)-chloromethyl]-5-ethylthiophene
SMILESCCc1ccc(C(Cl)c2cc(Cl)cc(Br)c2OC)s1
InChIInChI=1S/C14H13BrCl2OS/c1-3-9-4-5-12(19-9)13(17)10-6-8(16)7-11(15)14(10)18-2/h4-7,13H,3H2,1-2H3
InChIKeyKGFSFGSDZRTZKX-UHFFFAOYSA-N
XLogP6.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.13
LogP ≤ 56.06
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

2,3-dibromo-5-[(3-bromo-5-chloro-2-methoxyphenyl)-chloromethyl]thiophene
CID 80538927
2-[chloro-(5-chloro-2-fluorophenyl)methyl]-5-ethylthiophene
CID 63430815
1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chloro-2-methoxybenzene
CID 63430739
2-[(2-bromo-5-methylphenyl)-chloromethyl]-5-ethylthiophene
CID 81111630
2-[chloro-(3-chloro-5-methylphenyl)methyl]-5-ethylthiophene
CID 81324476
2-[bromo-(2-bromo-4-chlorophenyl)methyl]-5-ethylthiophene
CID 107991596
N-[(3-bromo-5-chloro-2-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 43494050
2-bromo-5-[chloro-(5-ethylthiophen-2-yl)methyl]thiophene
CID 63431036
1-bromo-3-[2-(4-bromophenyl)-1-chloroethyl]-5-chloro-2-methoxybenzene
CID 63430608
1-bromo-5-chloro-3-[chloro-(2-methoxy-5-methylphenyl)methyl]-2-methoxybenzene
CID 63431157
1-bromo-5-chloro-3-[chloro-(4-methylsulfanylphenyl)methyl]-2-methoxybenzene
CID 79217991
1-(3-bromo-5-chloro-2-methoxyphenyl)decan-1-amine
CID 65447812

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-chloro-2-methoxyphenyl)-chloromethyl]-5-ethylthiophene?
The IUPAC name of 2-[(3-bromo-5-chloro-2-methoxyphenyl)-chloromethyl]-5-ethylthiophene (CID 63430917) is 2-[(3-bromo-5-chloro-2-methoxyphenyl)-chloromethyl]-5-ethylthiophene.
What is the SMILES notation for 2-[(3-bromo-5-chloro-2-methoxyphenyl)-chloromethyl]-5-ethylthiophene?
The canonical SMILES for 2-[(3-bromo-5-chloro-2-methoxyphenyl)-chloromethyl]-5-ethylthiophene is CCc1ccc(C(Cl)c2cc(Cl)cc(Br)c2OC)s1.
What is the InChIKey of 2-[(3-bromo-5-chloro-2-methoxyphenyl)-chloromethyl]-5-ethylthiophene?
The InChIKey is KGFSFGSDZRTZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrCl2OS/c1-3-9-4-5-12(19-9)13(17)10-6-8(16)7-11(15)14(10)18-2/h4-7,13H,3H2,1-2H3.
What are the key properties of 2-[(3-bromo-5-chloro-2-methoxyphenyl)-chloromethyl]-5-ethylthiophene?
2-[(3-bromo-5-chloro-2-methoxyphenyl)-chloromethyl]-5-ethylthiophene has a molecular weight of 380.13 g/mol, XLogP of 6.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-chloro-2-methoxyphenyl)-chloromethyl]-5-ethylthiophene is sourced from PubChem (CID 63430917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).