[2-(5-pentylthiophen-2-yl)-1-benzofuran-6-yl]oxymethanol

C18H20O3S — CID 153303432

IUPAC[2-(5-pentylthiophen-2-yl)-1-benzofuran-6-yl]oxymethanol
SMILESCCCCCc1ccc(-c2cc3ccc(OCO)cc3o2)s1
InChIInChI=1S/C18H20O3S/c1-2-3-4-5-15-8-9-18(22-15)17-10-13-6-7-14(20-12-19)11-16(13)21-17/h6-11,19H,2-5,12H2,1H3
InChIKeyATBOYHMJIRYXFD-UHFFFAOYSA-N
MW316.42 g/mol
LogP5.22
Rot. Bonds7

About [2-(5-pentylthiophen-2-yl)-1-benzofuran-6-yl]oxymethanol

[2-(5-pentylthiophen-2-yl)-1-benzofuran-6-yl]oxymethanol (PubChem CID 153303432) has the molecular formula C18H20O3S and a molecular weight of 316.42 g/mol. Its IUPAC name is [2-(5-pentylthiophen-2-yl)-1-benzofuran-6-yl]oxymethanol.

Molecular Properties

Compound Name[2-(5-pentylthiophen-2-yl)-1-benzofuran-6-yl]oxymethanol
PubChem CID153303432
Molecular FormulaC18H20O3S
Molecular Weight316.42 g/mol
Exact Mass316.11
IUPAC Name[2-(5-pentylthiophen-2-yl)-1-benzofuran-6-yl]oxymethanol
SMILESCCCCCc1ccc(-c2cc3ccc(OCO)cc3o2)s1
InChIInChI=1S/C18H20O3S/c1-2-3-4-5-15-8-9-18(22-15)17-10-13-6-7-14(20-12-19)11-16(13)21-17/h6-11,19H,2-5,12H2,1H3
InChIKeyATBOYHMJIRYXFD-UHFFFAOYSA-N
XLogP5.22
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.42
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [2-(5-pentylthiophen-2-yl)-1-benzofuran-6-yl]oxymethanol with MolForge

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

Launch Full Analysis

Related Compounds

6-ethoxy-2-[5-pentyl-3-(trifluoromethyl)thiophen-2-yl]-1-benzofuran
CID 146722245
3-(4-butoxyphenyl)-7-(hydroxymethoxy)chromen-2-one
CID 126606414
2-hexyl-5-[6-(5-hexylthiophen-2-yl)anthracen-2-yl]thiophene
CID 59695623
2-hexyl-5-(4-methoxyphenyl)thiophene
CID 70491963
[2-[5-pentyl-3-(trifluoromethyl)thiophen-2-yl]-1-benzofuran-6-yl]oxymethyl 2-methylprop-2-enoate
CID 153303464
2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 24746397
4-(6-butoxy-1-benzofuran-2-yl)benzaldehyde
CID 59595900
2-butyl-5-(4-methoxyphenyl)thiophene
CID 101473574
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
2,5-bis(5-octylthiophen-2-yl)thieno[3,2-b]thiophene
CID 71014668
[2-oxo-3-(4-pentylphenyl)chromen-7-yl]oxymethyl 2-methylpropanoate
CID 153303633
7-octoxy-2-oxochromene-3-carboxylic acid
CID 21182395

Frequently Asked Questions

What is the IUPAC name of [2-(5-pentylthiophen-2-yl)-1-benzofuran-6-yl]oxymethanol?
The IUPAC name of [2-(5-pentylthiophen-2-yl)-1-benzofuran-6-yl]oxymethanol (CID 153303432) is [2-(5-pentylthiophen-2-yl)-1-benzofuran-6-yl]oxymethanol.
What is the SMILES notation for [2-(5-pentylthiophen-2-yl)-1-benzofuran-6-yl]oxymethanol?
The canonical SMILES for [2-(5-pentylthiophen-2-yl)-1-benzofuran-6-yl]oxymethanol is CCCCCc1ccc(-c2cc3ccc(OCO)cc3o2)s1.
What is the InChIKey of [2-(5-pentylthiophen-2-yl)-1-benzofuran-6-yl]oxymethanol?
The InChIKey is ATBOYHMJIRYXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3S/c1-2-3-4-5-15-8-9-18(22-15)17-10-13-6-7-14(20-12-19)11-16(13)21-17/h6-11,19H,2-5,12H2,1H3.
What are the key properties of [2-(5-pentylthiophen-2-yl)-1-benzofuran-6-yl]oxymethanol?
[2-(5-pentylthiophen-2-yl)-1-benzofuran-6-yl]oxymethanol has a molecular weight of 316.42 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-pentylthiophen-2-yl)-1-benzofuran-6-yl]oxymethanol is sourced from PubChem (CID 153303432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).