(3-chloro-4-methylthiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol

C17H21ClOS — CID 103404428

IUPAC(3-chloro-4-methylthiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol
SMILESCCC(C)(C)c1ccc(C(O)c2scc(C)c2Cl)cc1
InChIInChI=1S/C17H21ClOS/c1-5-17(3,4)13-8-6-12(7-9-13)15(19)16-14(18)11(2)10-20-16/h6-10,15,19H,5H2,1-4H3
InChIKeyRSYYFLJPXOUWTR-UHFFFAOYSA-N
MW308.87 g/mol
LogP5.48
Rot. Bonds4

About (3-chloro-4-methylthiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol

(3-chloro-4-methylthiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol (PubChem CID 103404428) has the molecular formula C17H21ClOS and a molecular weight of 308.87 g/mol. Its IUPAC name is (3-chloro-4-methylthiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol.

Molecular Properties

Compound Name(3-chloro-4-methylthiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol
PubChem CID103404428
Molecular FormulaC17H21ClOS
Molecular Weight308.87 g/mol
Exact Mass308.10
IUPAC Name(3-chloro-4-methylthiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol
SMILESCCC(C)(C)c1ccc(C(O)c2scc(C)c2Cl)cc1
InChIInChI=1S/C17H21ClOS/c1-5-17(3,4)13-8-6-12(7-9-13)15(19)16-14(18)11(2)10-20-16/h6-10,15,19H,5H2,1-4H3
InChIKeyRSYYFLJPXOUWTR-UHFFFAOYSA-N
XLogP5.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.87
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-4-methylthiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanamine
CID 103401213
(3-chlorothiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 80641514
(5-bromothiophen-3-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 107964313
(3-chloro-5-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 81316592
(4-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 66260153
(3-chloro-4-methylthiophen-2-yl)-(3,5-dimethoxyphenyl)methanol
CID 103408157
5-[(3-chloro-4-methylthiophen-2-yl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
CID 103404288
1-(3-chloro-4-methylthiophen-2-yl)pentan-1-ol
CID 103407883
[4-(2-methylbutan-2-yl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol
CID 80738896
1-(1-chloroethyl)-4-(2-methylbutan-2-yl)benzene
CID 66259205
(1S)-2-amino-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 69219309
1-(3-chloro-4-methylthiophen-2-yl)hexan-1-ol
CID 103407894

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylthiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol?
The IUPAC name of (3-chloro-4-methylthiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol (CID 103404428) is (3-chloro-4-methylthiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol.
What is the SMILES notation for (3-chloro-4-methylthiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol?
The canonical SMILES for (3-chloro-4-methylthiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol is CCC(C)(C)c1ccc(C(O)c2scc(C)c2Cl)cc1.
What is the InChIKey of (3-chloro-4-methylthiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol?
The InChIKey is RSYYFLJPXOUWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClOS/c1-5-17(3,4)13-8-6-12(7-9-13)15(19)16-14(18)11(2)10-20-16/h6-10,15,19H,5H2,1-4H3.
What are the key properties of (3-chloro-4-methylthiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol?
(3-chloro-4-methylthiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol has a molecular weight of 308.87 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylthiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol is sourced from PubChem (CID 103404428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).