(5-tert-butylthiophen-2-yl)-(2-propoxyphenyl)methanol

C18H24O2S — CID 104658893

IUPAC(5-tert-butylthiophen-2-yl)-(2-propoxyphenyl)methanol
SMILESCCCOc1ccccc1C(O)c1ccc(C(C)(C)C)s1
InChIInChI=1S/C18H24O2S/c1-5-12-20-14-9-7-6-8-13(14)17(19)15-10-11-16(21-15)18(2,3)4/h6-11,17,19H,5,12H2,1-4H3
InChIKeyZCJZGSKQOYHVOS-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.92
Rot. Bonds5

About (5-tert-butylthiophen-2-yl)-(2-propoxyphenyl)methanol

(5-tert-butylthiophen-2-yl)-(2-propoxyphenyl)methanol (PubChem CID 104658893) has the molecular formula C18H24O2S and a molecular weight of 304.46 g/mol. Its IUPAC name is (5-tert-butylthiophen-2-yl)-(2-propoxyphenyl)methanol.

Molecular Properties

Compound Name(5-tert-butylthiophen-2-yl)-(2-propoxyphenyl)methanol
PubChem CID104658893
Molecular FormulaC18H24O2S
Molecular Weight304.46 g/mol
Exact Mass304.15
IUPAC Name(5-tert-butylthiophen-2-yl)-(2-propoxyphenyl)methanol
SMILESCCCOc1ccccc1C(O)c1ccc(C(C)(C)C)s1
InChIInChI=1S/C18H24O2S/c1-5-12-20-14-9-7-6-8-13(14)17(19)15-10-11-16(21-15)18(2,3)4/h6-11,17,19H,5,12H2,1-4H3
InChIKeyZCJZGSKQOYHVOS-UHFFFAOYSA-N
XLogP4.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-tert-butylthiophen-2-yl)-(2-propoxyphenyl)methanol 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

1-(2-propoxyphenyl)ethanol
CID 43503976
(2-propoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 115833031
(4-iodophenyl)-(2-propoxyphenyl)methanol
CID 115833070
(2-propoxyphenyl)-(1,3-thiazol-2-yl)methanol
CID 104658962
1-(2-propoxyphenyl)heptan-1-ol
CID 113438141
(3-methoxythiophen-2-yl)-(2-propoxyphenyl)methanol
CID 115833017
1-benzothiophen-3-yl-(2-propoxyphenyl)methanol
CID 104658650
(5-tert-butylthiophen-2-yl)-(2-cyclobutylphenyl)methanol
CID 114601532
(2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanol
CID 105125917
1-(2-butoxyphenyl)-2,2,2-trichloroethanol
CID 119091928
(2-methoxy-3-pyridinyl)-(2-propoxyphenyl)methanol
CID 105125991
2-methoxy-1-(2-propoxyphenyl)propan-1-ol
CID 104659647

Frequently Asked Questions

What is the IUPAC name of (5-tert-butylthiophen-2-yl)-(2-propoxyphenyl)methanol?
The IUPAC name of (5-tert-butylthiophen-2-yl)-(2-propoxyphenyl)methanol (CID 104658893) is (5-tert-butylthiophen-2-yl)-(2-propoxyphenyl)methanol.
What is the SMILES notation for (5-tert-butylthiophen-2-yl)-(2-propoxyphenyl)methanol?
The canonical SMILES for (5-tert-butylthiophen-2-yl)-(2-propoxyphenyl)methanol is CCCOc1ccccc1C(O)c1ccc(C(C)(C)C)s1.
What is the InChIKey of (5-tert-butylthiophen-2-yl)-(2-propoxyphenyl)methanol?
The InChIKey is ZCJZGSKQOYHVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2S/c1-5-12-20-14-9-7-6-8-13(14)17(19)15-10-11-16(21-15)18(2,3)4/h6-11,17,19H,5,12H2,1-4H3.
What are the key properties of (5-tert-butylthiophen-2-yl)-(2-propoxyphenyl)methanol?
(5-tert-butylthiophen-2-yl)-(2-propoxyphenyl)methanol has a molecular weight of 304.46 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butylthiophen-2-yl)-(2-propoxyphenyl)methanol is sourced from PubChem (CID 104658893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).