1-(4-bromothiophen-3-yl)-2-naphthalen-2-ylethanol

C16H13BrOS — CID 105113172

IUPAC1-(4-bromothiophen-3-yl)-2-naphthalen-2-ylethanol
SMILESOC(Cc1ccc2ccccc2c1)c1cscc1Br
InChIInChI=1S/C16H13BrOS/c17-15-10-19-9-14(15)16(18)8-11-5-6-12-3-1-2-4-13(12)7-11/h1-7,9-10,16,18H,8H2
InChIKeyYGVQCHPOCARCOG-UHFFFAOYSA-N
MW333.25 g/mol
LogP4.94
Rot. Bonds3

About 1-(4-bromothiophen-3-yl)-2-naphthalen-2-ylethanol

1-(4-bromothiophen-3-yl)-2-naphthalen-2-ylethanol (PubChem CID 105113172) has the molecular formula C16H13BrOS and a molecular weight of 333.25 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-2-naphthalen-2-ylethanol.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-2-naphthalen-2-ylethanol
PubChem CID105113172
Molecular FormulaC16H13BrOS
Molecular Weight333.25 g/mol
Exact Mass331.99
IUPAC Name1-(4-bromothiophen-3-yl)-2-naphthalen-2-ylethanol
SMILESOC(Cc1ccc2ccccc2c1)c1cscc1Br
InChIInChI=1S/C16H13BrOS/c17-15-10-19-9-14(15)16(18)8-11-5-6-12-3-1-2-4-13(12)7-11/h1-7,9-10,16,18H,8H2
InChIKeyYGVQCHPOCARCOG-UHFFFAOYSA-N
XLogP4.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromothiophen-3-yl)-2-(4-methylphenyl)ethanol
CID 79595189
(1S)-2-naphthalen-2-yl-1-phenylethanol
CID 101378142
1-(2-bromophenyl)-N-methyl-2-naphthalen-2-ylethanamine
CID 63529102
1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol
CID 115820172
2-methyl-3-naphthalen-2-ylpropane-1,1-diol
CID 20647932
1-(furan-2-yl)-2-naphthalen-2-ylethanol
CID 55150829
2,5-dibromo-3-(1-bromo-2-naphthalen-2-ylethyl)thiophene
CID 107965761
1-(3-bromothiophen-2-yl)-2-naphthalen-2-ylethanamine
CID 63797585
2-(4-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)ethanol
CID 79596174
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480
1-(4-bromothiophen-3-yl)-2-phenylethane-1,2-diol
CID 103459511
1-(4-bromothiophen-3-yl)-N-methyl-2-phenylethanamine
CID 79595314

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-2-naphthalen-2-ylethanol?
The IUPAC name of 1-(4-bromothiophen-3-yl)-2-naphthalen-2-ylethanol (CID 105113172) is 1-(4-bromothiophen-3-yl)-2-naphthalen-2-ylethanol.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-2-naphthalen-2-ylethanol?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-2-naphthalen-2-ylethanol is OC(Cc1ccc2ccccc2c1)c1cscc1Br.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-2-naphthalen-2-ylethanol?
The InChIKey is YGVQCHPOCARCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrOS/c17-15-10-19-9-14(15)16(18)8-11-5-6-12-3-1-2-4-13(12)7-11/h1-7,9-10,16,18H,8H2.
What are the key properties of 1-(4-bromothiophen-3-yl)-2-naphthalen-2-ylethanol?
1-(4-bromothiophen-3-yl)-2-naphthalen-2-ylethanol has a molecular weight of 333.25 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-2-naphthalen-2-ylethanol is sourced from PubChem (CID 105113172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).