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

C15H17ClOS — CID 115484530

IUPAC(2-chloro-4,5-dimethylphenyl)-(3-ethylthiophen-2-yl)methanol
SMILESCCc1ccsc1C(O)c1cc(C)c(C)cc1Cl
InChIInChI=1S/C15H17ClOS/c1-4-11-5-6-18-15(11)14(17)12-7-9(2)10(3)8-13(12)16/h5-8,14,17H,4H2,1-3H3
InChIKeyWZRBGCIRDCCAML-UHFFFAOYSA-N
MW280.82 g/mol
LogP4.66
Rot. Bonds3

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

(2-chloro-4,5-dimethylphenyl)-(3-ethylthiophen-2-yl)methanol (PubChem CID 115484530) has the molecular formula C15H17ClOS and a molecular weight of 280.82 g/mol. Its IUPAC name is (2-chloro-4,5-dimethylphenyl)-(3-ethylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(2-chloro-4,5-dimethylphenyl)-(3-ethylthiophen-2-yl)methanol
PubChem CID115484530
Molecular FormulaC15H17ClOS
Molecular Weight280.82 g/mol
Exact Mass280.07
IUPAC Name(2-chloro-4,5-dimethylphenyl)-(3-ethylthiophen-2-yl)methanol
SMILESCCc1ccsc1C(O)c1cc(C)c(C)cc1Cl
InChIInChI=1S/C15H17ClOS/c1-4-11-5-6-18-15(11)14(17)12-7-9(2)10(3)8-13(12)16/h5-8,14,17H,4H2,1-3H3
InChIKeyWZRBGCIRDCCAML-UHFFFAOYSA-N
XLogP4.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.82
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-dimethylphenyl)-(3-ethylthiophen-2-yl)methanol?
The IUPAC name of (2-chloro-4,5-dimethylphenyl)-(3-ethylthiophen-2-yl)methanol (CID 115484530) is (2-chloro-4,5-dimethylphenyl)-(3-ethylthiophen-2-yl)methanol.
What is the SMILES notation for (2-chloro-4,5-dimethylphenyl)-(3-ethylthiophen-2-yl)methanol?
The canonical SMILES for (2-chloro-4,5-dimethylphenyl)-(3-ethylthiophen-2-yl)methanol is CCc1ccsc1C(O)c1cc(C)c(C)cc1Cl.
What is the InChIKey of (2-chloro-4,5-dimethylphenyl)-(3-ethylthiophen-2-yl)methanol?
The InChIKey is WZRBGCIRDCCAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClOS/c1-4-11-5-6-18-15(11)14(17)12-7-9(2)10(3)8-13(12)16/h5-8,14,17H,4H2,1-3H3.
What are the key properties of (2-chloro-4,5-dimethylphenyl)-(3-ethylthiophen-2-yl)methanol?
(2-chloro-4,5-dimethylphenyl)-(3-ethylthiophen-2-yl)methanol has a molecular weight of 280.82 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-dimethylphenyl)-(3-ethylthiophen-2-yl)methanol is sourced from PubChem (CID 115484530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).