(5-bromo-4-methylthiophen-2-yl)-(4-methoxynaphthalen-1-yl)methanol

C17H15BrO2S — CID 79998988

IUPAC(5-bromo-4-methylthiophen-2-yl)-(4-methoxynaphthalen-1-yl)methanol
SMILESCOc1ccc(C(O)c2cc(C)c(Br)s2)c2ccccc12
InChIInChI=1S/C17H15BrO2S/c1-10-9-15(21-17(10)18)16(19)13-7-8-14(20-2)12-6-4-3-5-11(12)13/h3-9,16,19H,1-2H3
InChIKeyCLBGEAYVKPHUEA-UHFFFAOYSA-N
MW363.28 g/mol
LogP5.06
Rot. Bonds3

About (5-bromo-4-methylthiophen-2-yl)-(4-methoxynaphthalen-1-yl)methanol

(5-bromo-4-methylthiophen-2-yl)-(4-methoxynaphthalen-1-yl)methanol (PubChem CID 79998988) has the molecular formula C17H15BrO2S and a molecular weight of 363.28 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-(4-methoxynaphthalen-1-yl)methanol.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-(4-methoxynaphthalen-1-yl)methanol
PubChem CID79998988
Molecular FormulaC17H15BrO2S
Molecular Weight363.28 g/mol
Exact Mass362.00
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-(4-methoxynaphthalen-1-yl)methanol
SMILESCOc1ccc(C(O)c2cc(C)c(Br)s2)c2ccccc12
InChIInChI=1S/C17H15BrO2S/c1-10-9-15(21-17(10)18)16(19)13-7-8-14(20-2)12-6-4-3-5-11(12)13/h3-9,16,19H,1-2H3
InChIKeyCLBGEAYVKPHUEA-UHFFFAOYSA-N
XLogP5.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.28
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-4-methylthiophen-2-yl)-quinolin-5-ylmethanol
CID 115826296
(5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
CID 79996828
(5-chloro-4-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanol
CID 102764426
2-bromo-5-[chloro-(2,3,4-trimethoxyphenyl)methyl]-3-methylthiophene
CID 79999407
(5-bromo-4-methylthiophen-2-yl)-(2-propan-2-yloxyphenyl)methanol
CID 115823703
(5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanol
CID 79996742
2-bromo-5-[bromo-(4-methylnaphthalen-1-yl)methyl]-3-methylthiophene
CID 79996492
(5-bromo-4-methylthiophen-2-yl)-(4-phenylphenyl)methanol
CID 79998991
(1R)-1-(4-methoxynaphthalen-1-yl)ethanol
CID 82758527
(5-bromo-4-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanol
CID 79992530
(5-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanol
CID 61099992
2-bromo-2,2-difluoro-1-(4-methoxynaphthalen-1-yl)ethanol
CID 107140252

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(4-methoxynaphthalen-1-yl)methanol?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(4-methoxynaphthalen-1-yl)methanol (CID 79998988) is (5-bromo-4-methylthiophen-2-yl)-(4-methoxynaphthalen-1-yl)methanol.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-(4-methoxynaphthalen-1-yl)methanol?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-(4-methoxynaphthalen-1-yl)methanol is COc1ccc(C(O)c2cc(C)c(Br)s2)c2ccccc12.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-(4-methoxynaphthalen-1-yl)methanol?
The InChIKey is CLBGEAYVKPHUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrO2S/c1-10-9-15(21-17(10)18)16(19)13-7-8-14(20-2)12-6-4-3-5-11(12)13/h3-9,16,19H,1-2H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-(4-methoxynaphthalen-1-yl)methanol?
(5-bromo-4-methylthiophen-2-yl)-(4-methoxynaphthalen-1-yl)methanol has a molecular weight of 363.28 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylthiophen-2-yl)-(4-methoxynaphthalen-1-yl)methanol is sourced from PubChem (CID 79998988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).