(4-butan-2-ylphenyl)-(4,5-dimethylthiophen-2-yl)methanol

C17H22OS — CID 65238991

IUPAC(4-butan-2-ylphenyl)-(4,5-dimethylthiophen-2-yl)methanol
SMILESCCC(C)c1ccc(C(O)c2cc(C)c(C)s2)cc1
InChIInChI=1S/C17H22OS/c1-5-11(2)14-6-8-15(9-7-14)17(18)16-10-12(3)13(4)19-16/h6-11,17-18H,5H2,1-4H3
InChIKeyLDOJRNLUMJCZFO-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.96
Rot. Bonds4

About (4-butan-2-ylphenyl)-(4,5-dimethylthiophen-2-yl)methanol

(4-butan-2-ylphenyl)-(4,5-dimethylthiophen-2-yl)methanol (PubChem CID 65238991) has the molecular formula C17H22OS and a molecular weight of 274.43 g/mol. Its IUPAC name is (4-butan-2-ylphenyl)-(4,5-dimethylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(4-butan-2-ylphenyl)-(4,5-dimethylthiophen-2-yl)methanol
PubChem CID65238991
Molecular FormulaC17H22OS
Molecular Weight274.43 g/mol
Exact Mass274.14
IUPAC Name(4-butan-2-ylphenyl)-(4,5-dimethylthiophen-2-yl)methanol
SMILESCCC(C)c1ccc(C(O)c2cc(C)c(C)s2)cc1
InChIInChI=1S/C17H22OS/c1-5-11(2)14-6-8-15(9-7-14)17(18)16-10-12(3)13(4)19-16/h6-11,17-18H,5H2,1-4H3
InChIKeyLDOJRNLUMJCZFO-UHFFFAOYSA-N
XLogP4.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-butan-2-ylphenyl)-(3,4-dimethylphenyl)methanol
CID 63426275
(4,5-dimethylthiophen-2-yl)-(3-fluoro-4-methylphenyl)methanol
CID 107130699
(4-butan-2-ylphenyl)-(4-fluoro-3-methylphenyl)methanol
CID 63426051
(4-bromo-5-methylthiophen-2-yl)-(4-propylphenyl)methanol
CID 102829642
(4-butan-2-ylphenyl)-(3-chloro-5-methylphenyl)methanol
CID 81324135
2-[(4-butan-2-ylphenyl)-chloromethyl]-5-methylthiophene
CID 63429994
(4,5-dimethylthiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879459
(4-butan-2-ylphenyl)-(3-chloro-4-fluorophenyl)methanol
CID 82879198
(3-bromo-4-chlorophenyl)-(4-butan-2-ylphenyl)methanol
CID 107991127
(3-bromothiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanol
CID 80535842
1-(4,5-dimethylthiophen-2-yl)-2-ethylbutan-1-amine
CID 105013994
7-[(4,5-dimethylthiophen-2-yl)-hydroxymethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 65238894

Frequently Asked Questions

What is the IUPAC name of (4-butan-2-ylphenyl)-(4,5-dimethylthiophen-2-yl)methanol?
The IUPAC name of (4-butan-2-ylphenyl)-(4,5-dimethylthiophen-2-yl)methanol (CID 65238991) is (4-butan-2-ylphenyl)-(4,5-dimethylthiophen-2-yl)methanol.
What is the SMILES notation for (4-butan-2-ylphenyl)-(4,5-dimethylthiophen-2-yl)methanol?
The canonical SMILES for (4-butan-2-ylphenyl)-(4,5-dimethylthiophen-2-yl)methanol is CCC(C)c1ccc(C(O)c2cc(C)c(C)s2)cc1.
What is the InChIKey of (4-butan-2-ylphenyl)-(4,5-dimethylthiophen-2-yl)methanol?
The InChIKey is LDOJRNLUMJCZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22OS/c1-5-11(2)14-6-8-15(9-7-14)17(18)16-10-12(3)13(4)19-16/h6-11,17-18H,5H2,1-4H3.
What are the key properties of (4-butan-2-ylphenyl)-(4,5-dimethylthiophen-2-yl)methanol?
(4-butan-2-ylphenyl)-(4,5-dimethylthiophen-2-yl)methanol has a molecular weight of 274.43 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butan-2-ylphenyl)-(4,5-dimethylthiophen-2-yl)methanol is sourced from PubChem (CID 65238991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).