2-bromo-5-[chloro-(4-propan-2-yloxyphenyl)methyl]thiophene

C14H14BrClOS — CID 63432334

IUPAC2-bromo-5-[chloro-(4-propan-2-yloxyphenyl)methyl]thiophene
SMILESCC(C)Oc1ccc(C(Cl)c2ccc(Br)s2)cc1
InChIInChI=1S/C14H14BrClOS/c1-9(2)17-11-5-3-10(4-6-11)14(16)12-7-8-13(15)18-12/h3-9,14H,1-2H3
InChIKeyWNWFEQDGDAFAJL-UHFFFAOYSA-N
MW345.69 g/mol
LogP5.63
Rot. Bonds4

About 2-bromo-5-[chloro-(4-propan-2-yloxyphenyl)methyl]thiophene

2-bromo-5-[chloro-(4-propan-2-yloxyphenyl)methyl]thiophene (PubChem CID 63432334) has the molecular formula C14H14BrClOS and a molecular weight of 345.69 g/mol. Its IUPAC name is 2-bromo-5-[chloro-(4-propan-2-yloxyphenyl)methyl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[chloro-(4-propan-2-yloxyphenyl)methyl]thiophene
PubChem CID63432334
Molecular FormulaC14H14BrClOS
Molecular Weight345.69 g/mol
Exact Mass343.96
IUPAC Name2-bromo-5-[chloro-(4-propan-2-yloxyphenyl)methyl]thiophene
SMILESCC(C)Oc1ccc(C(Cl)c2ccc(Br)s2)cc1
InChIInChI=1S/C14H14BrClOS/c1-9(2)17-11-5-3-10(4-6-11)14(16)12-7-8-13(15)18-12/h3-9,14H,1-2H3
InChIKeyWNWFEQDGDAFAJL-UHFFFAOYSA-N
XLogP5.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.69
LogP ≤ 55.63
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

(5-bromothiophen-2-yl)-(4-propan-2-yloxyphenyl)methanol
CID 61086892
1-[chloro-(4-methoxyphenyl)methyl]-4-propan-2-yloxybenzene
CID 61085205
2-[chloro-(4-propan-2-yloxyphenyl)methyl]-4-methoxythiophene
CID 81123738
2-bromo-5-[(4-butylphenyl)-chloromethyl]thiophene
CID 63431686
2-[chloro-(4-propan-2-yloxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 63432379
2-bromo-5-[chloro-(5-ethylthiophen-2-yl)methyl]thiophene
CID 63431036
1-[chloro-(4-methylsulfanylphenyl)methyl]-4-propan-2-yloxybenzene
CID 79217227
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 43674153
1-[chloro-(4-propan-2-yloxyphenyl)methyl]-3,5-difluorobenzene
CID 63432827
2-bromo-5-[chloro-(3-chloro-4-iodophenyl)methyl]thiophene
CID 103210763
2-bromo-5-[(3-bromo-4-propoxyphenyl)-chloromethyl]thiophene
CID 104661972
3-bromo-5-[chloro-[4-(difluoromethoxy)phenyl]methyl]-2-methylthiophene
CID 102835667

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[chloro-(4-propan-2-yloxyphenyl)methyl]thiophene?
The IUPAC name of 2-bromo-5-[chloro-(4-propan-2-yloxyphenyl)methyl]thiophene (CID 63432334) is 2-bromo-5-[chloro-(4-propan-2-yloxyphenyl)methyl]thiophene.
What is the SMILES notation for 2-bromo-5-[chloro-(4-propan-2-yloxyphenyl)methyl]thiophene?
The canonical SMILES for 2-bromo-5-[chloro-(4-propan-2-yloxyphenyl)methyl]thiophene is CC(C)Oc1ccc(C(Cl)c2ccc(Br)s2)cc1.
What is the InChIKey of 2-bromo-5-[chloro-(4-propan-2-yloxyphenyl)methyl]thiophene?
The InChIKey is WNWFEQDGDAFAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClOS/c1-9(2)17-11-5-3-10(4-6-11)14(16)12-7-8-13(15)18-12/h3-9,14H,1-2H3.
What are the key properties of 2-bromo-5-[chloro-(4-propan-2-yloxyphenyl)methyl]thiophene?
2-bromo-5-[chloro-(4-propan-2-yloxyphenyl)methyl]thiophene has a molecular weight of 345.69 g/mol, XLogP of 5.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[chloro-(4-propan-2-yloxyphenyl)methyl]thiophene is sourced from PubChem (CID 63432334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).