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

C19H24OS — CID 114601532

IUPAC(5-tert-butylthiophen-2-yl)-(2-cyclobutylphenyl)methanol
SMILESCC(C)(C)c1ccc(C(O)c2ccccc2C2CCC2)s1
InChIInChI=1S/C19H24OS/c1-19(2,3)17-12-11-16(21-17)18(20)15-10-5-4-9-14(15)13-7-6-8-13/h4-5,9-13,18,20H,6-8H2,1-3H3
InChIKeyBJGJJIFABYEBLZ-UHFFFAOYSA-N
MW300.47 g/mol
LogP5.39
Rot. Bonds3

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

(5-tert-butylthiophen-2-yl)-(2-cyclobutylphenyl)methanol (PubChem CID 114601532) has the molecular formula C19H24OS and a molecular weight of 300.47 g/mol. Its IUPAC name is (5-tert-butylthiophen-2-yl)-(2-cyclobutylphenyl)methanol.

Molecular Properties

Compound Name(5-tert-butylthiophen-2-yl)-(2-cyclobutylphenyl)methanol
PubChem CID114601532
Molecular FormulaC19H24OS
Molecular Weight300.47 g/mol
Exact Mass300.15
IUPAC Name(5-tert-butylthiophen-2-yl)-(2-cyclobutylphenyl)methanol
SMILESCC(C)(C)c1ccc(C(O)c2ccccc2C2CCC2)s1
InChIInChI=1S/C19H24OS/c1-19(2,3)17-12-11-16(21-17)18(20)15-10-5-4-9-14(15)13-7-6-8-13/h4-5,9-13,18,20H,6-8H2,1-3H3
InChIKeyBJGJJIFABYEBLZ-UHFFFAOYSA-N
XLogP5.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.47
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-tert-butylthiophen-2-yl)-(2-propoxyphenyl)methanol
CID 104658893
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1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanol
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(2-cyclobutylphenyl)-(2,5-dimethylfuran-3-yl)methanol
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(4-tert-butylthiadiazol-5-yl)-(2-cyclobutylphenyl)methanamine
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1-(2-cyclobutylphenyl)butane-1,2-diol
CID 103454593
(1R)-1-[2-(2-cyclobutylphenyl)phenyl]ethanol
CID 71129039
(2-cyclobutylphenyl)-(3-fluoro-4-methylphenyl)methanol
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(4-bromo-3-methylphenyl)-(2-cyclobutylphenyl)methanol
CID 114601521
1-(2-cyclobutylphenyl)-2-phenylpropan-1-ol
CID 114601326
(2-cyclopropylphenyl)-(4-propan-2-ylphenyl)methanol
CID 79983378
(5-tert-butylthiophen-2-yl)-(4-chloro-2,5-difluorophenyl)methanol
CID 82771349

Frequently Asked Questions

What is the IUPAC name of (5-tert-butylthiophen-2-yl)-(2-cyclobutylphenyl)methanol?
The IUPAC name of (5-tert-butylthiophen-2-yl)-(2-cyclobutylphenyl)methanol (CID 114601532) is (5-tert-butylthiophen-2-yl)-(2-cyclobutylphenyl)methanol.
What is the SMILES notation for (5-tert-butylthiophen-2-yl)-(2-cyclobutylphenyl)methanol?
The canonical SMILES for (5-tert-butylthiophen-2-yl)-(2-cyclobutylphenyl)methanol is CC(C)(C)c1ccc(C(O)c2ccccc2C2CCC2)s1.
What is the InChIKey of (5-tert-butylthiophen-2-yl)-(2-cyclobutylphenyl)methanol?
The InChIKey is BJGJJIFABYEBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24OS/c1-19(2,3)17-12-11-16(21-17)18(20)15-10-5-4-9-14(15)13-7-6-8-13/h4-5,9-13,18,20H,6-8H2,1-3H3.
What are the key properties of (5-tert-butylthiophen-2-yl)-(2-cyclobutylphenyl)methanol?
(5-tert-butylthiophen-2-yl)-(2-cyclobutylphenyl)methanol has a molecular weight of 300.47 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butylthiophen-2-yl)-(2-cyclobutylphenyl)methanol is sourced from PubChem (CID 114601532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).