(4,5-dimethyl-1-benzothiophen-2-yl)methanol

C11H12OS — CID 131190841

IUPAC(4,5-dimethyl-1-benzothiophen-2-yl)methanol
SMILESCc1ccc2sc(CO)cc2c1C
InChIInChI=1S/C11H12OS/c1-7-3-4-11-10(8(7)2)5-9(6-12)13-11/h3-5,12H,6H2,1-2H3
InChIKeyDPNVSIVHPIQEPG-UHFFFAOYSA-N
MW192.28 g/mol
LogP3.01
Rot. Bonds1

About (4,5-dimethyl-1-benzothiophen-2-yl)methanol

(4,5-dimethyl-1-benzothiophen-2-yl)methanol (PubChem CID 131190841) has the molecular formula C11H12OS and a molecular weight of 192.28 g/mol. Its IUPAC name is (4,5-dimethyl-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(4,5-dimethyl-1-benzothiophen-2-yl)methanol
PubChem CID131190841
Molecular FormulaC11H12OS
Molecular Weight192.28 g/mol
Exact Mass192.06
IUPAC Name(4,5-dimethyl-1-benzothiophen-2-yl)methanol
SMILESCc1ccc2sc(CO)cc2c1C
InChIInChI=1S/C11H12OS/c1-7-3-4-11-10(8(7)2)5-9(6-12)13-11/h3-5,12H,6H2,1-2H3
InChIKeyDPNVSIVHPIQEPG-UHFFFAOYSA-N
XLogP3.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,5-trimethyl-1-benzothiophene
CID 54060383
(4-methylsulfanyl-5-sulfanyl-1-benzothiophen-2-yl)methanol
CID 130855375
5-chloro-2-(hydroxymethyl)-1-benzothiophene-4-carbaldehyde
CID 131030809
(4-iodo-5-sulfanyl-1-benzothiophen-2-yl)methanol
CID 131123417
(4-bromo-1-benzothiophen-2-yl)methanol
CID 13466536
(7-methyl-4-methylsulfanyl-1-benzothiophen-2-yl)methanol
CID 130821638
2-(hydroxymethyl)thiochromen-4-one
CID 66937671
(3-methyl-5-methylsulfanyl-1-benzothiophen-2-yl)methanol
CID 131197439
(5-bromo-2-ethyl-1-benzothiophen-4-yl)methanol
CID 130951766
7,16-diethyl-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene
CID 118651605
2-(4-iodo-5-methyl-1-benzothiophen-2-yl)acetonitrile
CID 130857335
(5-chloro-1-benzothiophen-2-yl)methanol
CID 23340421

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethyl-1-benzothiophen-2-yl)methanol?
The IUPAC name of (4,5-dimethyl-1-benzothiophen-2-yl)methanol (CID 131190841) is (4,5-dimethyl-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (4,5-dimethyl-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (4,5-dimethyl-1-benzothiophen-2-yl)methanol is Cc1ccc2sc(CO)cc2c1C.
What is the InChIKey of (4,5-dimethyl-1-benzothiophen-2-yl)methanol?
The InChIKey is DPNVSIVHPIQEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12OS/c1-7-3-4-11-10(8(7)2)5-9(6-12)13-11/h3-5,12H,6H2,1-2H3.
What are the key properties of (4,5-dimethyl-1-benzothiophen-2-yl)methanol?
(4,5-dimethyl-1-benzothiophen-2-yl)methanol has a molecular weight of 192.28 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethyl-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 131190841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).