(3,4-dimethylphenyl)-(3-methylthiophen-2-yl)methanol

C14H16OS — CID 61101702

IUPAC(3,4-dimethylphenyl)-(3-methylthiophen-2-yl)methanol
SMILESCc1ccc(C(O)c2sccc2C)cc1C
InChIInChI=1S/C14H16OS/c1-9-4-5-12(8-11(9)3)13(15)14-10(2)6-7-16-14/h4-8,13,15H,1-3H3
InChIKeyUBCTXHNTLQDFOW-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.76
Rot. Bonds2

About (3,4-dimethylphenyl)-(3-methylthiophen-2-yl)methanol

(3,4-dimethylphenyl)-(3-methylthiophen-2-yl)methanol (PubChem CID 61101702) has the molecular formula C14H16OS and a molecular weight of 232.35 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(3-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(3-methylthiophen-2-yl)methanol
PubChem CID61101702
Molecular FormulaC14H16OS
Molecular Weight232.35 g/mol
Exact Mass232.09
IUPAC Name(3,4-dimethylphenyl)-(3-methylthiophen-2-yl)methanol
SMILESCc1ccc(C(O)c2sccc2C)cc1C
InChIInChI=1S/C14H16OS/c1-9-4-5-12(8-11(9)3)13(15)14-10(2)6-7-16-14/h4-8,13,15H,1-3H3
InChIKeyUBCTXHNTLQDFOW-UHFFFAOYSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[bromo-(3,4-dimethylphenyl)methyl]-3-methylthiophene
CID 63435676
(3-bromo-4-methoxyphenyl)-(3-methylthiophen-2-yl)methanol
CID 54978962
(3-methylthiophen-2-yl)-quinoxalin-6-ylmethanol
CID 78917699
(3-bromo-4-fluorophenyl)-(3-methylthiophen-2-yl)methanol
CID 79747205
(2,6-dimethyl-4-pyridinyl)-(3-methylthiophen-2-yl)methanol
CID 107502869
(3-methylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanol
CID 64985208
[4-(2-methylpropyl)phenyl]-(3-methylthiophen-2-yl)methanol
CID 61099824
7-[hydroxy-(3-methylthiophen-2-yl)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 61089554
(3-cyclopropylphenyl)-(3-methylthiophen-2-yl)methanol
CID 79991292
(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methanol
CID 79992255
(3,4-dimethylphenyl)-(5-methylthiophen-3-yl)methanol
CID 65100079
(5-fluoro-3-pyridinyl)-(3-methylthiophen-2-yl)methanol
CID 63894490

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(3-methylthiophen-2-yl)methanol?
The IUPAC name of (3,4-dimethylphenyl)-(3-methylthiophen-2-yl)methanol (CID 61101702) is (3,4-dimethylphenyl)-(3-methylthiophen-2-yl)methanol.
What is the SMILES notation for (3,4-dimethylphenyl)-(3-methylthiophen-2-yl)methanol?
The canonical SMILES for (3,4-dimethylphenyl)-(3-methylthiophen-2-yl)methanol is Cc1ccc(C(O)c2sccc2C)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-(3-methylthiophen-2-yl)methanol?
The InChIKey is UBCTXHNTLQDFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16OS/c1-9-4-5-12(8-11(9)3)13(15)14-10(2)6-7-16-14/h4-8,13,15H,1-3H3.
What are the key properties of (3,4-dimethylphenyl)-(3-methylthiophen-2-yl)methanol?
(3,4-dimethylphenyl)-(3-methylthiophen-2-yl)methanol has a molecular weight of 232.35 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-(3-methylthiophen-2-yl)methanol is sourced from PubChem (CID 61101702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).