2-chloro-3-hexyl-5-(4-methoxyphenyl)thiophene

C17H21ClOS — CID 102205396

IUPAC2-chloro-3-hexyl-5-(4-methoxyphenyl)thiophene
SMILESCCCCCCc1cc(-c2ccc(OC)cc2)sc1Cl
InChIInChI=1S/C17H21ClOS/c1-3-4-5-6-7-14-12-16(20-17(14)18)13-8-10-15(19-2)11-9-13/h8-12H,3-7H2,1-2H3
InChIKeyRDCKNYFZKLMLEJ-UHFFFAOYSA-N
MW308.87 g/mol
LogP6.20
Rot. Bonds7

About 2-chloro-3-hexyl-5-(4-methoxyphenyl)thiophene

2-chloro-3-hexyl-5-(4-methoxyphenyl)thiophene (PubChem CID 102205396) has the molecular formula C17H21ClOS and a molecular weight of 308.87 g/mol. Its IUPAC name is 2-chloro-3-hexyl-5-(4-methoxyphenyl)thiophene.

Molecular Properties

Compound Name2-chloro-3-hexyl-5-(4-methoxyphenyl)thiophene
PubChem CID102205396
Molecular FormulaC17H21ClOS
Molecular Weight308.87 g/mol
Exact Mass308.10
IUPAC Name2-chloro-3-hexyl-5-(4-methoxyphenyl)thiophene
SMILESCCCCCCc1cc(-c2ccc(OC)cc2)sc1Cl
InChIInChI=1S/C17H21ClOS/c1-3-4-5-6-7-14-12-16(20-17(14)18)13-8-10-15(19-2)11-9-13/h8-12H,3-7H2,1-2H3
InChIKeyRDCKNYFZKLMLEJ-UHFFFAOYSA-N
XLogP6.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.87
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hexyl-5-(4-methoxyphenyl)thiophene
CID 70491963
4-[4-hexyl-5-[5-[3-hexyl-5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline
CID 132518710
2-bromo-5-[6-(5-bromo-4-octylthiophen-2-yl)naphthalen-2-yl]-3-octylthiophene
CID 141251586
[4-(5-bromo-4-hexylthiophen-2-yl)phenyl]-trimethoxysilane
CID 59244133
2-butyl-5-(4-methoxyphenyl)thiophene
CID 101473574
7-fluoro-2-(4-hexylphenyl)-5-methoxy-1-benzothiophene
CID 22450973
5-(2,4-dimethoxyphenyl)-3-hexyl-2-methylthiophene
CID 134999835
tributyl-[2-(4-methoxyphenyl)thieno[3,2-b]thiophen-5-yl]stannane
CID 142513471
1-decyl-2,4-dimethoxybenzene
CID 524862
2,4-dimethoxy-1-tetradecylbenzene
CID 54383579
1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-bis[4-(4-methoxyphenyl)phenyl]benzene
CID 145196769
2,3-bis(5-chloro-4-hexylthiophen-2-yl)-5-(3-hexylthiophen-2-yl)thiophene
CID 132551013

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-hexyl-5-(4-methoxyphenyl)thiophene?
The IUPAC name of 2-chloro-3-hexyl-5-(4-methoxyphenyl)thiophene (CID 102205396) is 2-chloro-3-hexyl-5-(4-methoxyphenyl)thiophene.
What is the SMILES notation for 2-chloro-3-hexyl-5-(4-methoxyphenyl)thiophene?
The canonical SMILES for 2-chloro-3-hexyl-5-(4-methoxyphenyl)thiophene is CCCCCCc1cc(-c2ccc(OC)cc2)sc1Cl.
What is the InChIKey of 2-chloro-3-hexyl-5-(4-methoxyphenyl)thiophene?
The InChIKey is RDCKNYFZKLMLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClOS/c1-3-4-5-6-7-14-12-16(20-17(14)18)13-8-10-15(19-2)11-9-13/h8-12H,3-7H2,1-2H3.
What are the key properties of 2-chloro-3-hexyl-5-(4-methoxyphenyl)thiophene?
2-chloro-3-hexyl-5-(4-methoxyphenyl)thiophene has a molecular weight of 308.87 g/mol, XLogP of 6.20, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-hexyl-5-(4-methoxyphenyl)thiophene is sourced from PubChem (CID 102205396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).