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

C14H16OS — CID 79808123

IUPAC(3,4-dimethylphenyl)-(4-methylthiophen-3-yl)methanol
SMILESCc1ccc(C(O)c2cscc2C)cc1C
InChIInChI=1S/C14H16OS/c1-9-4-5-12(6-10(9)2)14(15)13-8-16-7-11(13)3/h4-8,14-15H,1-3H3
InChIKeyKJOOXGVPLXHKAE-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.76
Rot. Bonds2

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

(3,4-dimethylphenyl)-(4-methylthiophen-3-yl)methanol (PubChem CID 79808123) has the molecular formula C14H16OS and a molecular weight of 232.35 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(4-methylthiophen-3-yl)methanol.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(4-methylthiophen-3-yl)methanol
PubChem CID79808123
Molecular FormulaC14H16OS
Molecular Weight232.35 g/mol
Exact Mass232.09
IUPAC Name(3,4-dimethylphenyl)-(4-methylthiophen-3-yl)methanol
SMILESCc1ccc(C(O)c2cscc2C)cc1C
InChIInChI=1S/C14H16OS/c1-9-4-5-12(6-10(9)2)14(15)13-8-16-7-11(13)3/h4-8,14-15H,1-3H3
InChIKeyKJOOXGVPLXHKAE-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

(3,4-dimethylphenyl)-(4-methylthiophen-3-yl)methanamine
CID 79802611
2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylthiophen-3-yl)methanol
CID 79808329
1-(3,4-dimethylphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 79802800
6-[hydroxy-(4-methylthiophen-3-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 79808428
(4-methylthiophen-3-yl)-(4-propylphenyl)methanol
CID 79807812
(3,4-dimethylphenyl)-(5-methylthiophen-3-yl)methanol
CID 65100079
(3,4-dimethylphenyl)-(2-iodophenyl)methanol
CID 61101353
(3,4-dimethylphenyl)-(4-methyl-3-pyridinyl)methanol
CID 66274356
(2,6-difluoro-3-methylphenyl)-(4-methylthiophen-3-yl)methanol
CID 82823282
(R)-(3-amino-4-methylphenyl)-(3,4-dimethylphenyl)methanol
CID 100804028
(R)-(4-amino-3-methylphenyl)-(3,4-dimethylphenyl)methanol
CID 100804122
(3,4-dimethylphenyl)-(3-methylthiophen-2-yl)methanol
CID 61101702

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(4-methylthiophen-3-yl)methanol?
The IUPAC name of (3,4-dimethylphenyl)-(4-methylthiophen-3-yl)methanol (CID 79808123) is (3,4-dimethylphenyl)-(4-methylthiophen-3-yl)methanol.
What is the SMILES notation for (3,4-dimethylphenyl)-(4-methylthiophen-3-yl)methanol?
The canonical SMILES for (3,4-dimethylphenyl)-(4-methylthiophen-3-yl)methanol is Cc1ccc(C(O)c2cscc2C)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-(4-methylthiophen-3-yl)methanol?
The InChIKey is KJOOXGVPLXHKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16OS/c1-9-4-5-12(6-10(9)2)14(15)13-8-16-7-11(13)3/h4-8,14-15H,1-3H3.
What are the key properties of (3,4-dimethylphenyl)-(4-methylthiophen-3-yl)methanol?
(3,4-dimethylphenyl)-(4-methylthiophen-3-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)-(4-methylthiophen-3-yl)methanol is sourced from PubChem (CID 79808123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).