2-[chloro-(4-propan-2-yloxyphenyl)methyl]-4-methoxythiophene

C15H17ClO2S — CID 81123738

IUPAC2-[chloro-(4-propan-2-yloxyphenyl)methyl]-4-methoxythiophene
SMILESCOc1csc(C(Cl)c2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C15H17ClO2S/c1-10(2)18-12-6-4-11(5-7-12)15(16)14-8-13(17-3)9-19-14/h4-10,15H,1-3H3
InChIKeyXWCOXMJCRCXGQM-UHFFFAOYSA-N
MW296.82 g/mol
LogP4.87
Rot. Bonds5

About 2-[chloro-(4-propan-2-yloxyphenyl)methyl]-4-methoxythiophene

2-[chloro-(4-propan-2-yloxyphenyl)methyl]-4-methoxythiophene (PubChem CID 81123738) has the molecular formula C15H17ClO2S and a molecular weight of 296.82 g/mol. Its IUPAC name is 2-[chloro-(4-propan-2-yloxyphenyl)methyl]-4-methoxythiophene.

Molecular Properties

Compound Name2-[chloro-(4-propan-2-yloxyphenyl)methyl]-4-methoxythiophene
PubChem CID81123738
Molecular FormulaC15H17ClO2S
Molecular Weight296.82 g/mol
Exact Mass296.06
IUPAC Name2-[chloro-(4-propan-2-yloxyphenyl)methyl]-4-methoxythiophene
SMILESCOc1csc(C(Cl)c2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C15H17ClO2S/c1-10(2)18-12-6-4-11(5-7-12)15(16)14-8-13(17-3)9-19-14/h4-10,15H,1-3H3
InChIKeyXWCOXMJCRCXGQM-UHFFFAOYSA-N
XLogP4.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[chloro-(4-ethylphenyl)methyl]-4-methoxythiophene
CID 81123181
1-[chloro-(4-methoxyphenyl)methyl]-4-propan-2-yloxybenzene
CID 61085205
2-[(4-butylphenyl)-chloromethyl]-4-methoxythiophene
CID 81123622
(4-methoxythiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine
CID 105019103
2-bromo-5-[chloro-(4-propan-2-yloxyphenyl)methyl]thiophene
CID 63432334
1-(4-methoxythiophen-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 81126484
5-[chloro-(4-methoxythiophen-2-yl)methyl]-3,3-dimethyl-1H-indol-2-one
CID 81119753
2-[(3-bromothiophen-2-yl)-chloromethyl]-4-methoxythiophene
CID 81124555
1-[chloro-(4-propan-2-yloxyphenyl)methyl]-3,5-difluorobenzene
CID 63432827
2-[chloro-(4-propan-2-yloxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 63432379
4-chloro-1-[chloro-(4-propan-2-yloxyphenyl)methyl]-2-methoxybenzene
CID 63432686
1-(4-methoxythiophen-2-yl)ethanol
CID 115840733

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(4-propan-2-yloxyphenyl)methyl]-4-methoxythiophene?
The IUPAC name of 2-[chloro-(4-propan-2-yloxyphenyl)methyl]-4-methoxythiophene (CID 81123738) is 2-[chloro-(4-propan-2-yloxyphenyl)methyl]-4-methoxythiophene.
What is the SMILES notation for 2-[chloro-(4-propan-2-yloxyphenyl)methyl]-4-methoxythiophene?
The canonical SMILES for 2-[chloro-(4-propan-2-yloxyphenyl)methyl]-4-methoxythiophene is COc1csc(C(Cl)c2ccc(OC(C)C)cc2)c1.
What is the InChIKey of 2-[chloro-(4-propan-2-yloxyphenyl)methyl]-4-methoxythiophene?
The InChIKey is XWCOXMJCRCXGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClO2S/c1-10(2)18-12-6-4-11(5-7-12)15(16)14-8-13(17-3)9-19-14/h4-10,15H,1-3H3.
What are the key properties of 2-[chloro-(4-propan-2-yloxyphenyl)methyl]-4-methoxythiophene?
2-[chloro-(4-propan-2-yloxyphenyl)methyl]-4-methoxythiophene has a molecular weight of 296.82 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(4-propan-2-yloxyphenyl)methyl]-4-methoxythiophene is sourced from PubChem (CID 81123738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).