(3,4-diethylphenyl)-thiophen-2-ylmethanol

C15H18OS — CID 115482624

IUPAC(3,4-diethylphenyl)-thiophen-2-ylmethanol
SMILESCCc1ccc(C(O)c2cccs2)cc1CC
InChIInChI=1S/C15H18OS/c1-3-11-7-8-13(10-12(11)4-2)15(16)14-6-5-9-17-14/h5-10,15-16H,3-4H2,1-2H3
InChIKeyKIIDTUYDYQRPNN-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.95
Rot. Bonds4

About (3,4-diethylphenyl)-thiophen-2-ylmethanol

(3,4-diethylphenyl)-thiophen-2-ylmethanol (PubChem CID 115482624) has the molecular formula C15H18OS and a molecular weight of 246.38 g/mol. Its IUPAC name is (3,4-diethylphenyl)-thiophen-2-ylmethanol.

Molecular Properties

Compound Name(3,4-diethylphenyl)-thiophen-2-ylmethanol
PubChem CID115482624
Molecular FormulaC15H18OS
Molecular Weight246.38 g/mol
Exact Mass246.11
IUPAC Name(3,4-diethylphenyl)-thiophen-2-ylmethanol
SMILESCCc1ccc(C(O)c2cccs2)cc1CC
InChIInChI=1S/C15H18OS/c1-3-11-7-8-13(10-12(11)4-2)15(16)14-6-5-9-17-14/h5-10,15-16H,3-4H2,1-2H3
InChIKeyKIIDTUYDYQRPNN-UHFFFAOYSA-N
XLogP3.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethylphenyl)-thiophen-2-ylmethanol
CID 61104575
1-[5-[hydroxy(thiophen-2-yl)methyl]-1,3-dihydroisoindol-2-yl]propan-1-one
CID 82175323
(2-bromophenyl)-(3,4-diethylphenyl)methanol
CID 115482670
1-(3,4-diethylphenyl)propan-1-ol
CID 115482676
3-ethyl-6-[hydroxy(thiophen-2-yl)methyl]-1,3-benzoxazol-2-one
CID 62299525
[3-(difluoromethyl)phenyl]-thiophen-2-ylmethanol
CID 115527711
(R)-[4-(dimethylamino)phenyl]-thiophen-2-ylmethanol
CID 686964
(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-thiophen-2-ylmethanol
CID 116525903
(3,4-diethylphenyl)-(2-ethoxyphenyl)methanol
CID 115482646
(S)-(3-chloro-4-fluorophenyl)-thiophen-2-ylmethanol
CID 95011849
(2R)-2-(3,4-diethylphenyl)-2-hydroxyacetic acid
CID 57059044
(4-bromo-2-chlorophenyl)-(3,4-diethylphenyl)methanol
CID 115482586

Frequently Asked Questions

What is the IUPAC name of (3,4-diethylphenyl)-thiophen-2-ylmethanol?
The IUPAC name of (3,4-diethylphenyl)-thiophen-2-ylmethanol (CID 115482624) is (3,4-diethylphenyl)-thiophen-2-ylmethanol.
What is the SMILES notation for (3,4-diethylphenyl)-thiophen-2-ylmethanol?
The canonical SMILES for (3,4-diethylphenyl)-thiophen-2-ylmethanol is CCc1ccc(C(O)c2cccs2)cc1CC.
What is the InChIKey of (3,4-diethylphenyl)-thiophen-2-ylmethanol?
The InChIKey is KIIDTUYDYQRPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18OS/c1-3-11-7-8-13(10-12(11)4-2)15(16)14-6-5-9-17-14/h5-10,15-16H,3-4H2,1-2H3.
What are the key properties of (3,4-diethylphenyl)-thiophen-2-ylmethanol?
(3,4-diethylphenyl)-thiophen-2-ylmethanol has a molecular weight of 246.38 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethylphenyl)-thiophen-2-ylmethanol is sourced from PubChem (CID 115482624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).