[4-(2-methylpropyl)phenyl]-(3-methylthiophen-2-yl)methanol

C16H20OS — CID 61099824

IUPAC[4-(2-methylpropyl)phenyl]-(3-methylthiophen-2-yl)methanol
SMILESCc1ccsc1C(O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C16H20OS/c1-11(2)10-13-4-6-14(7-5-13)15(17)16-12(3)8-9-18-16/h4-9,11,15,17H,10H2,1-3H3
InChIKeyBWLBOMCALIJTPY-UHFFFAOYSA-N
MW260.40 g/mol
LogP4.34
Rot. Bonds4

About [4-(2-methylpropyl)phenyl]-(3-methylthiophen-2-yl)methanol

[4-(2-methylpropyl)phenyl]-(3-methylthiophen-2-yl)methanol (PubChem CID 61099824) has the molecular formula C16H20OS and a molecular weight of 260.40 g/mol. Its IUPAC name is [4-(2-methylpropyl)phenyl]-(3-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name[4-(2-methylpropyl)phenyl]-(3-methylthiophen-2-yl)methanol
PubChem CID61099824
Molecular FormulaC16H20OS
Molecular Weight260.40 g/mol
Exact Mass260.12
IUPAC Name[4-(2-methylpropyl)phenyl]-(3-methylthiophen-2-yl)methanol
SMILESCc1ccsc1C(O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C16H20OS/c1-11(2)10-13-4-6-14(7-5-13)15(17)16-12(3)8-9-18-16/h4-9,11,15,17H,10H2,1-3H3
InChIKeyBWLBOMCALIJTPY-UHFFFAOYSA-N
XLogP4.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dimethylphenyl)-(3-methylthiophen-2-yl)methanol
CID 61101702
[4-(2-methylpropyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol
CID 80744923
(2,6-dimethyl-4-pyridinyl)-(3-methylthiophen-2-yl)methanol
CID 107502869
(3-bromo-4-methoxyphenyl)-(3-methylthiophen-2-yl)methanol
CID 54978962
(3-chlorothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanol
CID 115838197
[4-(2-methylpropyl)phenyl]-(4-methylsulfanylphenyl)methanol
CID 79217563
(3-ethylthiophen-2-yl)-[4-(2-methylpropyl)phenyl]methanamine
CID 79985784
(3-methylthiophen-2-yl)-quinoxalin-6-ylmethanol
CID 78917699
(3-bromo-4-fluorophenyl)-(3-methylthiophen-2-yl)methanol
CID 79747205
N-[1-(3-methylthiophen-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 115844177
(2R)-2-hydroxy-2-[4-(2-methylpropyl)phenyl]acetic acid
CID 45117198
2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 61080016

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)phenyl]-(3-methylthiophen-2-yl)methanol?
The IUPAC name of [4-(2-methylpropyl)phenyl]-(3-methylthiophen-2-yl)methanol (CID 61099824) is [4-(2-methylpropyl)phenyl]-(3-methylthiophen-2-yl)methanol.
What is the SMILES notation for [4-(2-methylpropyl)phenyl]-(3-methylthiophen-2-yl)methanol?
The canonical SMILES for [4-(2-methylpropyl)phenyl]-(3-methylthiophen-2-yl)methanol is Cc1ccsc1C(O)c1ccc(CC(C)C)cc1.
What is the InChIKey of [4-(2-methylpropyl)phenyl]-(3-methylthiophen-2-yl)methanol?
The InChIKey is BWLBOMCALIJTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20OS/c1-11(2)10-13-4-6-14(7-5-13)15(17)16-12(3)8-9-18-16/h4-9,11,15,17H,10H2,1-3H3.
What are the key properties of [4-(2-methylpropyl)phenyl]-(3-methylthiophen-2-yl)methanol?
[4-(2-methylpropyl)phenyl]-(3-methylthiophen-2-yl)methanol has a molecular weight of 260.40 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)phenyl]-(3-methylthiophen-2-yl)methanol is sourced from PubChem (CID 61099824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).