(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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Related Compounds

(3-ethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanol
CID 115797090
(4-bromo-2,5-dimethoxyphenyl)-(3-ethylthiophen-2-yl)methanol
CID 105057093
(2-chloro-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol
CID 80644143
(2-chloro-4,5-dimethoxyphenyl)-(3-ethylthiophen-2-yl)methanamine
CID 79984891
(3-methylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanol
CID 64985208
2-(dichloromethyl)-3-ethylthiophene
CID 14685355
2-[chloro-(2,5-dimethylphenyl)methyl]-3-ethylthiophene
CID 79975785
2-(2,5-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanol
CID 79976014
(3-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 80641878
(3-ethylthiophen-2-yl)-quinolin-8-ylmethanol
CID 115826964
(3-ethylthiophen-2-yl)-pyrimidin-5-ylmethanol
CID 115781662
2-[bromo-(3,4-dimethylphenyl)methyl]-3-ethylthiophene
CID 79975064

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).