2-chloro-5-[chloro(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3-methylthiophene

C16H16Cl2S — CID 102764819

IUPAC2-chloro-5-[chloro(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3-methylthiophene
SMILESCc1cc(C(Cl)C2CCCc3ccccc32)sc1Cl
InChIInChI=1S/C16H16Cl2S/c1-10-9-14(19-16(10)18)15(17)13-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,9,13,15H,4,6,8H2,1H3
InChIKeySONQUBQSSPQVOA-UHFFFAOYSA-N
MW311.28 g/mol
LogP6.11
Rot. Bonds2

About 2-chloro-5-[chloro(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3-methylthiophene

2-chloro-5-[chloro(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3-methylthiophene (PubChem CID 102764819) has the molecular formula C16H16Cl2S and a molecular weight of 311.28 g/mol. Its IUPAC name is 2-chloro-5-[chloro(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3-methylthiophene.

Molecular Properties

Compound Name2-chloro-5-[chloro(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3-methylthiophene
PubChem CID102764819
Molecular FormulaC16H16Cl2S
Molecular Weight311.28 g/mol
Exact Mass310.03
IUPAC Name2-chloro-5-[chloro(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3-methylthiophene
SMILESCc1cc(C(Cl)C2CCCc3ccccc32)sc1Cl
InChIInChI=1S/C16H16Cl2S/c1-10-9-14(19-16(10)18)15(17)13-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,9,13,15H,4,6,8H2,1H3
InChIKeySONQUBQSSPQVOA-UHFFFAOYSA-N
XLogP6.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.28
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[chloro(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3-methylthiophene?
The IUPAC name of 2-chloro-5-[chloro(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3-methylthiophene (CID 102764819) is 2-chloro-5-[chloro(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3-methylthiophene.
What is the SMILES notation for 2-chloro-5-[chloro(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3-methylthiophene?
The canonical SMILES for 2-chloro-5-[chloro(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3-methylthiophene is Cc1cc(C(Cl)C2CCCc3ccccc32)sc1Cl.
What is the InChIKey of 2-chloro-5-[chloro(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3-methylthiophene?
The InChIKey is SONQUBQSSPQVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2S/c1-10-9-14(19-16(10)18)15(17)13-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,9,13,15H,4,6,8H2,1H3.
What are the key properties of 2-chloro-5-[chloro(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3-methylthiophene?
2-chloro-5-[chloro(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3-methylthiophene has a molecular weight of 311.28 g/mol, XLogP of 6.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[chloro(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3-methylthiophene is sourced from PubChem (CID 102764819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).