(4-bromo-5-methylthiophen-2-yl)-(4-propylphenyl)methanol

C15H17BrOS — CID 102829642

IUPAC(4-bromo-5-methylthiophen-2-yl)-(4-propylphenyl)methanol
SMILESCCCc1ccc(C(O)c2cc(Br)c(C)s2)cc1
InChIInChI=1S/C15H17BrOS/c1-3-4-11-5-7-12(8-6-11)15(17)14-9-13(16)10(2)18-14/h5-9,15,17H,3-4H2,1-2H3
InChIKeyNCOHFYXATGNXOP-UHFFFAOYSA-N
MW325.27 g/mol
LogP4.85
Rot. Bonds4

About (4-bromo-5-methylthiophen-2-yl)-(4-propylphenyl)methanol

(4-bromo-5-methylthiophen-2-yl)-(4-propylphenyl)methanol (PubChem CID 102829642) has the molecular formula C15H17BrOS and a molecular weight of 325.27 g/mol. Its IUPAC name is (4-bromo-5-methylthiophen-2-yl)-(4-propylphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-5-methylthiophen-2-yl)-(4-propylphenyl)methanol
PubChem CID102829642
Molecular FormulaC15H17BrOS
Molecular Weight325.27 g/mol
Exact Mass324.02
IUPAC Name(4-bromo-5-methylthiophen-2-yl)-(4-propylphenyl)methanol
SMILESCCCc1ccc(C(O)c2cc(Br)c(C)s2)cc1
InChIInChI=1S/C15H17BrOS/c1-3-4-11-5-7-12(8-6-11)15(17)14-9-13(16)10(2)18-14/h5-9,15,17H,3-4H2,1-2H3
InChIKeyNCOHFYXATGNXOP-UHFFFAOYSA-N
XLogP4.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.27
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanol
CID 80537952
(4,5-dibromothiophen-2-yl)-(4-ethylphenyl)methanol
CID 80535254
(4-bromo-5-methylthiophen-2-yl)-(3-ethylphenyl)methanol
CID 102829560
(4-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanol
CID 102829537
(4,5-dibromothiophen-2-yl)-[4-(2-methylpropyl)phenyl]methanol
CID 80537480
(4-bromo-5-methylthiophen-2-yl)-(3-chloro-4-methylphenyl)methanol
CID 102834859
(2,5-dibromophenyl)-(4-propylphenyl)methanol
CID 114374739
1-(4-bromo-5-methylthiophen-2-yl)pentan-1-ol
CID 102829531
(4-bromo-5-methylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287912
N-[(4-bromo-5-methylthiophen-2-yl)-(4-ethylphenyl)methyl]propan-1-amine
CID 102827854
(2,6-dimethyl-4-pyridinyl)-(4-propylphenyl)methanol
CID 107502916
(4,5-dibromothiophen-2-yl)-(3,4-diethoxyphenyl)methanol
CID 80533947

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-methylthiophen-2-yl)-(4-propylphenyl)methanol?
The IUPAC name of (4-bromo-5-methylthiophen-2-yl)-(4-propylphenyl)methanol (CID 102829642) is (4-bromo-5-methylthiophen-2-yl)-(4-propylphenyl)methanol.
What is the SMILES notation for (4-bromo-5-methylthiophen-2-yl)-(4-propylphenyl)methanol?
The canonical SMILES for (4-bromo-5-methylthiophen-2-yl)-(4-propylphenyl)methanol is CCCc1ccc(C(O)c2cc(Br)c(C)s2)cc1.
What is the InChIKey of (4-bromo-5-methylthiophen-2-yl)-(4-propylphenyl)methanol?
The InChIKey is NCOHFYXATGNXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrOS/c1-3-4-11-5-7-12(8-6-11)15(17)14-9-13(16)10(2)18-14/h5-9,15,17H,3-4H2,1-2H3.
What are the key properties of (4-bromo-5-methylthiophen-2-yl)-(4-propylphenyl)methanol?
(4-bromo-5-methylthiophen-2-yl)-(4-propylphenyl)methanol has a molecular weight of 325.27 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-methylthiophen-2-yl)-(4-propylphenyl)methanol is sourced from PubChem (CID 102829642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).