2-butyl-5-(4-methoxyphenyl)thiophene

C15H18OS — CID 101473574

IUPAC2-butyl-5-(4-methoxyphenyl)thiophene
SMILESCCCCc1ccc(-c2ccc(OC)cc2)s1
InChIInChI=1S/C15H18OS/c1-3-4-5-14-10-11-15(17-14)12-6-8-13(16-2)9-7-12/h6-11H,3-5H2,1-2H3
InChIKeyBKAVBUXKLKDZBI-UHFFFAOYSA-N
MW246.38 g/mol
LogP4.77
Rot. Bonds5

About 2-butyl-5-(4-methoxyphenyl)thiophene

2-butyl-5-(4-methoxyphenyl)thiophene (PubChem CID 101473574) has the molecular formula C15H18OS and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-butyl-5-(4-methoxyphenyl)thiophene.

Molecular Properties

Compound Name2-butyl-5-(4-methoxyphenyl)thiophene
PubChem CID101473574
Molecular FormulaC15H18OS
Molecular Weight246.38 g/mol
Exact Mass246.11
IUPAC Name2-butyl-5-(4-methoxyphenyl)thiophene
SMILESCCCCc1ccc(-c2ccc(OC)cc2)s1
InChIInChI=1S/C15H18OS/c1-3-4-5-14-10-11-15(17-14)12-6-8-13(16-2)9-7-12/h6-11H,3-5H2,1-2H3
InChIKeyBKAVBUXKLKDZBI-UHFFFAOYSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-hexyl-5-(4-methoxyphenyl)thiophene
CID 70491963
2-ethyl-5-(4-methoxyphenyl)thiophene
CID 21064460
2-hexyl-5-[5-[5-[4-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenoxy]phenyl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 59288478
2-(methoxymethyl)-5-(4-methoxyphenyl)thiophene
CID 129157025
2-butyl-5-(4-hex-2-enoxyphenyl)thiophene
CID 54517967
2-hexyl-5-[6-(5-hexylthiophen-2-yl)anthracen-2-yl]thiophene
CID 59695623
2-propyl-5-[4-[4-[4-[4-(5-propylthiophen-2-yl)phenyl]phenyl]phenyl]phenyl]thiophene
CID 139982035
2-[4-[(E)-pent-2-enoxy]phenyl]-5-pentylthiophene
CID 23432248
2,5-bis[4-(4-methoxyphenyl)phenyl]thiophene
CID 16751334
2,5-bis[5-[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]thiophene
CID 132513911
3-[5-(3-methoxyphenyl)thiophen-2-yl]propan-1-amine
CID 170878912
2-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]pentanamide
CID 119342011

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-(4-methoxyphenyl)thiophene?
The IUPAC name of 2-butyl-5-(4-methoxyphenyl)thiophene (CID 101473574) is 2-butyl-5-(4-methoxyphenyl)thiophene.
What is the SMILES notation for 2-butyl-5-(4-methoxyphenyl)thiophene?
The canonical SMILES for 2-butyl-5-(4-methoxyphenyl)thiophene is CCCCc1ccc(-c2ccc(OC)cc2)s1.
What is the InChIKey of 2-butyl-5-(4-methoxyphenyl)thiophene?
The InChIKey is BKAVBUXKLKDZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18OS/c1-3-4-5-14-10-11-15(17-14)12-6-8-13(16-2)9-7-12/h6-11H,3-5H2,1-2H3.
What are the key properties of 2-butyl-5-(4-methoxyphenyl)thiophene?
2-butyl-5-(4-methoxyphenyl)thiophene has a molecular weight of 246.38 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-(4-methoxyphenyl)thiophene is sourced from PubChem (CID 101473574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).