(4-butoxyphenyl)-(5-methylthiophen-3-yl)methanol

C16H20O2S — CID 105103909

IUPAC(4-butoxyphenyl)-(5-methylthiophen-3-yl)methanol
SMILESCCCCOc1ccc(C(O)c2csc(C)c2)cc1
InChIInChI=1S/C16H20O2S/c1-3-4-9-18-15-7-5-13(6-8-15)16(17)14-10-12(2)19-11-14/h5-8,10-11,16-17H,3-4,9H2,1-2H3
InChIKeyACHMRBPZBOTBMH-UHFFFAOYSA-N
MW276.40 g/mol
LogP4.32
Rot. Bonds6

About (4-butoxyphenyl)-(5-methylthiophen-3-yl)methanol

(4-butoxyphenyl)-(5-methylthiophen-3-yl)methanol (PubChem CID 105103909) has the molecular formula C16H20O2S and a molecular weight of 276.40 g/mol. Its IUPAC name is (4-butoxyphenyl)-(5-methylthiophen-3-yl)methanol.

Molecular Properties

Compound Name(4-butoxyphenyl)-(5-methylthiophen-3-yl)methanol
PubChem CID105103909
Molecular FormulaC16H20O2S
Molecular Weight276.40 g/mol
Exact Mass276.12
IUPAC Name(4-butoxyphenyl)-(5-methylthiophen-3-yl)methanol
SMILESCCCCOc1ccc(C(O)c2csc(C)c2)cc1
InChIInChI=1S/C16H20O2S/c1-3-4-9-18-15-7-5-13(6-8-15)16(17)14-10-12(2)19-11-14/h5-8,10-11,16-17H,3-4,9H2,1-2H3
InChIKeyACHMRBPZBOTBMH-UHFFFAOYSA-N
XLogP4.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(4-octoxyphenyl)methanol
CID 139262063
(4-butoxyphenyl)-(3,5-difluorophenyl)methanol
CID 105093285
(4-butoxyphenyl)-(3,4-dichlorophenyl)methanol
CID 105133325
(3,4-dimethoxyphenyl)-(4-pentoxyphenyl)methanol
CID 140923051
(6-methyl-3-pyridinyl)-(4-propoxyphenyl)methanol
CID 63895736
(3,4-dimethylphenyl)-(5-methylthiophen-3-yl)methanol
CID 65100079
(1R,6R)-1,6-bis(4-butoxyphenyl)hexane-1,6-diol
CID 7452438
1-(4-butoxyphenyl)propan-1-ol
CID 19979001
(4-ethylphenyl)-(4-propoxyphenyl)methanol
CID 62796114
(3-chloro-4-methylphenyl)-(4-propoxyphenyl)methanol
CID 115795362
(1R)-1-(4-pentoxyphenyl)ethanol
CID 25324369
(2-methyl-4-pyridinyl)-(5-methylthiophen-3-yl)methanol
CID 106756231

Frequently Asked Questions

What is the IUPAC name of (4-butoxyphenyl)-(5-methylthiophen-3-yl)methanol?
The IUPAC name of (4-butoxyphenyl)-(5-methylthiophen-3-yl)methanol (CID 105103909) is (4-butoxyphenyl)-(5-methylthiophen-3-yl)methanol.
What is the SMILES notation for (4-butoxyphenyl)-(5-methylthiophen-3-yl)methanol?
The canonical SMILES for (4-butoxyphenyl)-(5-methylthiophen-3-yl)methanol is CCCCOc1ccc(C(O)c2csc(C)c2)cc1.
What is the InChIKey of (4-butoxyphenyl)-(5-methylthiophen-3-yl)methanol?
The InChIKey is ACHMRBPZBOTBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2S/c1-3-4-9-18-15-7-5-13(6-8-15)16(17)14-10-12(2)19-11-14/h5-8,10-11,16-17H,3-4,9H2,1-2H3.
What are the key properties of (4-butoxyphenyl)-(5-methylthiophen-3-yl)methanol?
(4-butoxyphenyl)-(5-methylthiophen-3-yl)methanol has a molecular weight of 276.40 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butoxyphenyl)-(5-methylthiophen-3-yl)methanol is sourced from PubChem (CID 105103909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).