(3,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol

C15H18OS — CID 61100003

IUPAC(3,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol
SMILESCCc1ccc(C(O)c2ccc(C)c(C)c2)s1
InChIInChI=1S/C15H18OS/c1-4-13-7-8-14(17-13)15(16)12-6-5-10(2)11(3)9-12/h5-9,15-16H,4H2,1-3H3
InChIKeyHNEGORKPJCGNNQ-UHFFFAOYSA-N
MW246.38 g/mol
LogP4.01
Rot. Bonds3

About (3,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol

(3,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol (PubChem CID 61100003) has the molecular formula C15H18OS and a molecular weight of 246.38 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol
PubChem CID61100003
Molecular FormulaC15H18OS
Molecular Weight246.38 g/mol
Exact Mass246.11
IUPAC Name(3,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol
SMILESCCc1ccc(C(O)c2ccc(C)c(C)c2)s1
InChIInChI=1S/C15H18OS/c1-4-13-7-8-14(17-13)15(16)12-6-5-10(2)11(3)9-12/h5-9,15-16H,4H2,1-3H3
InChIKeyHNEGORKPJCGNNQ-UHFFFAOYSA-N
XLogP4.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-methoxyphenyl)-(5-ethylthiophen-2-yl)methanol
CID 61100007
1,3-dihydro-2-benzofuran-5-yl-(5-ethylthiophen-2-yl)methanol
CID 63019737
2,3-dihydro-1H-inden-5-yl-(5-ethylthiophen-2-yl)methanol
CID 61099140
(5-ethylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287311
(5-ethylthiophen-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 63426088
(2,5-dimethylfuran-3-yl)-(5-ethylthiophen-2-yl)methanol
CID 61099322
(2,4-difluoro-5-methylphenyl)-(5-ethylthiophen-2-yl)methanol
CID 79731435
2-[bromo-(3-chloro-4-methylphenyl)methyl]-5-ethylthiophene
CID 63439491
(5-bromo-2,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol
CID 90394992
(5-ethylthiophen-2-yl)-(2-methylnaphthalen-1-yl)methanol
CID 81432036
3-ethyl-6-[(5-ethylthiophen-2-yl)-hydroxymethyl]-1,3-benzoxazol-2-one
CID 62300930
(3-chloro-4-methylphenyl)-(5-ethylthiophen-2-yl)methanamine
CID 55162371

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol?
The IUPAC name of (3,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol (CID 61100003) is (3,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol.
What is the SMILES notation for (3,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol?
The canonical SMILES for (3,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol is CCc1ccc(C(O)c2ccc(C)c(C)c2)s1.
What is the InChIKey of (3,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol?
The InChIKey is HNEGORKPJCGNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18OS/c1-4-13-7-8-14(17-13)15(16)12-6-5-10(2)11(3)9-12/h5-9,15-16H,4H2,1-3H3.
What are the key properties of (3,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol?
(3,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol has a molecular weight of 246.38 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol is sourced from PubChem (CID 61100003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).