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

C16H19ClOS — CID 80641514

IUPAC(3-chlorothiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol
SMILESCCC(C)(C)c1ccc(C(O)c2sccc2Cl)cc1
InChIInChI=1S/C16H19ClOS/c1-4-16(2,3)12-7-5-11(6-8-12)14(18)15-13(17)9-10-19-15/h5-10,14,18H,4H2,1-3H3
InChIKeyKCUGKDKJPDCXJR-UHFFFAOYSA-N
MW294.85 g/mol
LogP5.17
Rot. Bonds4

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

(3-chlorothiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol (PubChem CID 80641514) has the molecular formula C16H19ClOS and a molecular weight of 294.85 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol
PubChem CID80641514
Molecular FormulaC16H19ClOS
Molecular Weight294.85 g/mol
Exact Mass294.08
IUPAC Name(3-chlorothiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol
SMILESCCC(C)(C)c1ccc(C(O)c2sccc2Cl)cc1
InChIInChI=1S/C16H19ClOS/c1-4-16(2,3)12-7-5-11(6-8-12)14(18)15-13(17)9-10-19-15/h5-10,14,18H,4H2,1-3H3
InChIKeyKCUGKDKJPDCXJR-UHFFFAOYSA-N
XLogP5.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.85
LogP ≤ 55.17
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]methanol
CID 103404428
(3-chlorothiophen-2-yl)-(4-iodophenyl)methanol
CID 80530245
(5-bromothiophen-3-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 107964313
1-(3-chlorothiophen-2-yl)-2,2-dimethylbutan-1-ol
CID 80530613
bis(3-chlorothiophen-2-yl)methanol
CID 80642135
[4-(2-methylbutan-2-yl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol
CID 80738896
1-(3-chlorothiophen-2-yl)-2-(dimethylamino)-2-methylbutan-1-ol
CID 107359559
(3-chloro-5-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 81316592
3-chloro-2-(1-chloro-2,2-dimethylbutyl)thiophene
CID 80530259
1-(3-chlorothiophen-2-yl)-3,3-difluorobutan-1-ol
CID 131081703
(3-chlorothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methanol
CID 80530151
(3-chlorothiophen-2-yl)-(3-propylphenyl)methanol
CID 115838108

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol?
The IUPAC name of (3-chlorothiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol (CID 80641514) is (3-chlorothiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol.
What is the SMILES notation for (3-chlorothiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol?
The canonical SMILES for (3-chlorothiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol is CCC(C)(C)c1ccc(C(O)c2sccc2Cl)cc1.
What is the InChIKey of (3-chlorothiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol?
The InChIKey is KCUGKDKJPDCXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClOS/c1-4-16(2,3)12-7-5-11(6-8-12)14(18)15-13(17)9-10-19-15/h5-10,14,18H,4H2,1-3H3.
What are the key properties of (3-chlorothiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol?
(3-chlorothiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol has a molecular weight of 294.85 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol is sourced from PubChem (CID 80641514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).