1-(2,5-dichlorothiophen-3-yl)-2-naphthalen-1-ylethanol

C16H12Cl2OS — CID 107965715

IUPAC1-(2,5-dichlorothiophen-3-yl)-2-naphthalen-1-ylethanol
SMILESOC(Cc1cccc2ccccc12)c1cc(Cl)sc1Cl
InChIInChI=1S/C16H12Cl2OS/c17-15-9-13(16(18)20-15)14(19)8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9,14,19H,8H2
InChIKeyROPSRAJEPVOQQD-UHFFFAOYSA-N
MW323.24 g/mol
LogP5.48
Rot. Bonds3

About 1-(2,5-dichlorothiophen-3-yl)-2-naphthalen-1-ylethanol

1-(2,5-dichlorothiophen-3-yl)-2-naphthalen-1-ylethanol (PubChem CID 107965715) has the molecular formula C16H12Cl2OS and a molecular weight of 323.24 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-2-naphthalen-1-ylethanol.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-2-naphthalen-1-ylethanol
PubChem CID107965715
Molecular FormulaC16H12Cl2OS
Molecular Weight323.24 g/mol
Exact Mass322.00
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-2-naphthalen-1-ylethanol
SMILESOC(Cc1cccc2ccccc12)c1cc(Cl)sc1Cl
InChIInChI=1S/C16H12Cl2OS/c17-15-9-13(16(18)20-15)14(19)8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9,14,19H,8H2
InChIKeyROPSRAJEPVOQQD-UHFFFAOYSA-N
XLogP5.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.24
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorothiophen-3-yl)-2-quinolin-2-ylethanol
CID 107967248
1-(2-chloro-5-fluorophenyl)-2-naphthalen-1-ylethanol
CID 105397651
3-[bromo(naphthalen-1-yl)methyl]-2,5-dichlorothiophene
CID 63444904
1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol
CID 63427104
2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol
CID 61083005
1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanol
CID 61081417
1-chloro-2-naphthalen-1-ylethanol
CID 54087449
N-[(2,5-dichlorothiophen-3-yl)-naphthalen-1-ylmethyl]ethanamine
CID 43493136
2-(5-bromo-2-methoxyphenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol
CID 107969583
1-(4-fluoro-2-methylphenyl)-2-naphthalen-1-ylethanol
CID 65149639
(2,5-dichlorothiophen-3-yl)-phenylmethanol
CID 61082614
1-(3-chlorophenyl)-3-naphthalen-1-ylpropan-2-ol
CID 62608540

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-naphthalen-1-ylethanol?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-naphthalen-1-ylethanol (CID 107965715) is 1-(2,5-dichlorothiophen-3-yl)-2-naphthalen-1-ylethanol.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-2-naphthalen-1-ylethanol?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-2-naphthalen-1-ylethanol is OC(Cc1cccc2ccccc12)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-2-naphthalen-1-ylethanol?
The InChIKey is ROPSRAJEPVOQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2OS/c17-15-9-13(16(18)20-15)14(19)8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9,14,19H,8H2.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-2-naphthalen-1-ylethanol?
1-(2,5-dichlorothiophen-3-yl)-2-naphthalen-1-ylethanol has a molecular weight of 323.24 g/mol, XLogP of 5.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-2-naphthalen-1-ylethanol is sourced from PubChem (CID 107965715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).