(3-bromo-5-chlorophenyl)-(5-tert-butylthiophen-2-yl)methanol

C15H16BrClOS — CID 107955729

IUPAC(3-bromo-5-chlorophenyl)-(5-tert-butylthiophen-2-yl)methanol
SMILESCC(C)(C)c1ccc(C(O)c2cc(Cl)cc(Br)c2)s1
InChIInChI=1S/C15H16BrClOS/c1-15(2,3)13-5-4-12(19-13)14(18)9-6-10(16)8-11(17)7-9/h4-8,14,18H,1-3H3
InChIKeyIXYDLQDKMXPFLV-UHFFFAOYSA-N
MW359.72 g/mol
LogP5.54
Rot. Bonds2

About (3-bromo-5-chlorophenyl)-(5-tert-butylthiophen-2-yl)methanol

(3-bromo-5-chlorophenyl)-(5-tert-butylthiophen-2-yl)methanol (PubChem CID 107955729) has the molecular formula C15H16BrClOS and a molecular weight of 359.72 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(5-tert-butylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(5-tert-butylthiophen-2-yl)methanol
PubChem CID107955729
Molecular FormulaC15H16BrClOS
Molecular Weight359.72 g/mol
Exact Mass357.98
IUPAC Name(3-bromo-5-chlorophenyl)-(5-tert-butylthiophen-2-yl)methanol
SMILESCC(C)(C)c1ccc(C(O)c2cc(Cl)cc(Br)c2)s1
InChIInChI=1S/C15H16BrClOS/c1-15(2,3)13-5-4-12(19-13)14(18)9-6-10(16)8-11(17)7-9/h4-8,14,18H,1-3H3
InChIKeyIXYDLQDKMXPFLV-UHFFFAOYSA-N
XLogP5.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.72
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromo-5-chlorophenyl)-chloromethyl]-5-tert-butylthiophene
CID 114020890
(3-bromo-4-chlorophenyl)-(5-tert-butylthiophen-2-yl)methanol
CID 107991317
(5-tert-butylthiophen-2-yl)-(4-chloro-2,5-difluorophenyl)methanol
CID 82771349
(5-tert-butylthiophen-2-yl)-(5-methyl-3-pyridinyl)methanol
CID 113297017
(3-bromo-5-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 107955365
1-(5-tert-butylthiophen-2-yl)ethanol
CID 58902618
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-diol
CID 139745260
(5-tert-butylthiophen-2-yl)-(3-propylphenyl)methanol
CID 116542757
(5-tert-butylthiophen-2-yl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 114724447
(3-bromo-5-chlorophenyl)-(2-chlorophenyl)methanol
CID 107947286
(3-bromo-5-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 107955397
2-bromo-4-[(5-tert-butylthiophen-2-yl)-chloromethyl]thiophene
CID 107964939

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(5-tert-butylthiophen-2-yl)methanol?
The IUPAC name of (3-bromo-5-chlorophenyl)-(5-tert-butylthiophen-2-yl)methanol (CID 107955729) is (3-bromo-5-chlorophenyl)-(5-tert-butylthiophen-2-yl)methanol.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(5-tert-butylthiophen-2-yl)methanol?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(5-tert-butylthiophen-2-yl)methanol is CC(C)(C)c1ccc(C(O)c2cc(Cl)cc(Br)c2)s1.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(5-tert-butylthiophen-2-yl)methanol?
The InChIKey is IXYDLQDKMXPFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClOS/c1-15(2,3)13-5-4-12(19-13)14(18)9-6-10(16)8-11(17)7-9/h4-8,14,18H,1-3H3.
What are the key properties of (3-bromo-5-chlorophenyl)-(5-tert-butylthiophen-2-yl)methanol?
(3-bromo-5-chlorophenyl)-(5-tert-butylthiophen-2-yl)methanol has a molecular weight of 359.72 g/mol, XLogP of 5.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)-(5-tert-butylthiophen-2-yl)methanol is sourced from PubChem (CID 107955729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).