2-chloro-5-[(1-methoxy-4-methylnaphthalen-2-yl)methyl]thiophene

C17H15ClOS — CID 58242573

IUPAC2-chloro-5-[(1-methoxy-4-methylnaphthalen-2-yl)methyl]thiophene
SMILESCOc1c(Cc2ccc(Cl)s2)cc(C)c2ccccc12
InChIInChI=1S/C17H15ClOS/c1-11-9-12(10-13-7-8-16(18)20-13)17(19-2)15-6-4-3-5-14(11)15/h3-9H,10H2,1-2H3
InChIKeyBEIXKBMBMFKQKT-UHFFFAOYSA-N
MW302.83 g/mol
LogP5.46
Rot. Bonds3

About 2-chloro-5-[(1-methoxy-4-methylnaphthalen-2-yl)methyl]thiophene

2-chloro-5-[(1-methoxy-4-methylnaphthalen-2-yl)methyl]thiophene (PubChem CID 58242573) has the molecular formula C17H15ClOS and a molecular weight of 302.83 g/mol. Its IUPAC name is 2-chloro-5-[(1-methoxy-4-methylnaphthalen-2-yl)methyl]thiophene.

Molecular Properties

Compound Name2-chloro-5-[(1-methoxy-4-methylnaphthalen-2-yl)methyl]thiophene
PubChem CID58242573
Molecular FormulaC17H15ClOS
Molecular Weight302.83 g/mol
Exact Mass302.05
IUPAC Name2-chloro-5-[(1-methoxy-4-methylnaphthalen-2-yl)methyl]thiophene
SMILESCOc1c(Cc2ccc(Cl)s2)cc(C)c2ccccc12
InChIInChI=1S/C17H15ClOS/c1-11-9-12(10-13-7-8-16(18)20-13)17(19-2)15-6-4-3-5-14(11)15/h3-9H,10H2,1-2H3
InChIKeyBEIXKBMBMFKQKT-UHFFFAOYSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.83
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-chloro-5-[(1-methoxy-4-methylnaphthalen-2-yl)methyl]thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(1-methoxy-4-methylnaphthalen-2-yl)methyl]thiophene?
The IUPAC name of 2-chloro-5-[(1-methoxy-4-methylnaphthalen-2-yl)methyl]thiophene (CID 58242573) is 2-chloro-5-[(1-methoxy-4-methylnaphthalen-2-yl)methyl]thiophene.
What is the SMILES notation for 2-chloro-5-[(1-methoxy-4-methylnaphthalen-2-yl)methyl]thiophene?
The canonical SMILES for 2-chloro-5-[(1-methoxy-4-methylnaphthalen-2-yl)methyl]thiophene is COc1c(Cc2ccc(Cl)s2)cc(C)c2ccccc12.
What is the InChIKey of 2-chloro-5-[(1-methoxy-4-methylnaphthalen-2-yl)methyl]thiophene?
The InChIKey is BEIXKBMBMFKQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClOS/c1-11-9-12(10-13-7-8-16(18)20-13)17(19-2)15-6-4-3-5-14(11)15/h3-9H,10H2,1-2H3.
What are the key properties of 2-chloro-5-[(1-methoxy-4-methylnaphthalen-2-yl)methyl]thiophene?
2-chloro-5-[(1-methoxy-4-methylnaphthalen-2-yl)methyl]thiophene has a molecular weight of 302.83 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(1-methoxy-4-methylnaphthalen-2-yl)methyl]thiophene is sourced from PubChem (CID 58242573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).