phenyl-(2-propan-2-ylthiophen-3-yl)methanol

C14H16OS — CID 121226271

IUPACphenyl-(2-propan-2-ylthiophen-3-yl)methanol
SMILESCC(C)c1sccc1C(O)c1ccccc1
InChIInChI=1S/C14H16OS/c1-10(2)14-12(8-9-16-14)13(15)11-6-4-3-5-7-11/h3-10,13,15H,1-2H3
InChIKeyJZYAGDMKZLQOQP-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.95
Rot. Bonds3

About phenyl-(2-propan-2-ylthiophen-3-yl)methanol

phenyl-(2-propan-2-ylthiophen-3-yl)methanol (PubChem CID 121226271) has the molecular formula C14H16OS and a molecular weight of 232.35 g/mol. Its IUPAC name is phenyl-(2-propan-2-ylthiophen-3-yl)methanol.

Molecular Properties

Compound Namephenyl-(2-propan-2-ylthiophen-3-yl)methanol
PubChem CID121226271
Molecular FormulaC14H16OS
Molecular Weight232.35 g/mol
Exact Mass232.09
IUPAC Namephenyl-(2-propan-2-ylthiophen-3-yl)methanol
SMILESCC(C)c1sccc1C(O)c1ccccc1
InChIInChI=1S/C14H16OS/c1-10(2)14-12(8-9-16-14)13(15)11-6-4-3-5-7-11/h3-10,13,15H,1-2H3
InChIKeyJZYAGDMKZLQOQP-UHFFFAOYSA-N
XLogP3.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-di(propan-2-yl)thiophene;ethane;methane
CID 161153650
(R)-[2-[(S)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542463
[3-(1-hydroxyethyl)thiophen-2-yl]methanediol
CID 20712579
cumene;hydrogen peroxide
CID 21225480
ethane;phenyl(1,3-thiazol-2-yl)methanol;hydrate
CID 142101108
phenyl-[2-(trideuteriomethoxy)phenyl]methanol
CID 101015641
(R)-phenyl(1,3-thiazol-2-yl)methanol
CID 10511917
(2-methylthiophen-3-yl)-(3-phenoxyphenyl)methanol
CID 102829168
(R)-1-benzothiophen-3-yl(phenyl)methanol
CID 101489601
(S)-[2-(2-methylpropyl)phenyl]-phenylmethanol
CID 125467044
1-(3-bromothiophen-2-yl)-2-phenylethane-1,2-diol
CID 103459382
(1S)-1-phenylethanol
CID 157125626

Frequently Asked Questions

What is the IUPAC name of phenyl-(2-propan-2-ylthiophen-3-yl)methanol?
The IUPAC name of phenyl-(2-propan-2-ylthiophen-3-yl)methanol (CID 121226271) is phenyl-(2-propan-2-ylthiophen-3-yl)methanol.
What is the SMILES notation for phenyl-(2-propan-2-ylthiophen-3-yl)methanol?
The canonical SMILES for phenyl-(2-propan-2-ylthiophen-3-yl)methanol is CC(C)c1sccc1C(O)c1ccccc1.
What is the InChIKey of phenyl-(2-propan-2-ylthiophen-3-yl)methanol?
The InChIKey is JZYAGDMKZLQOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16OS/c1-10(2)14-12(8-9-16-14)13(15)11-6-4-3-5-7-11/h3-10,13,15H,1-2H3.
What are the key properties of phenyl-(2-propan-2-ylthiophen-3-yl)methanol?
phenyl-(2-propan-2-ylthiophen-3-yl)methanol has a molecular weight of 232.35 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2-propan-2-ylthiophen-3-yl)methanol is sourced from PubChem (CID 121226271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).