[5-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]-3-pyridinyl]methanol

C23H18ClNO2S — CID 10179597

IUPAC[5-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]-3-pyridinyl]methanol
SMILESOCc1cncc(-c2sccc2-c2cc(Cl)ccc2OCc2ccccc2)c1
InChIInChI=1S/C23H18ClNO2S/c24-19-6-7-22(27-15-16-4-2-1-3-5-16)21(11-19)20-8-9-28-23(20)18-10-17(14-26)12-25-13-18/h1-13,26H,14-15H2
InChIKeyBCNFLWJPXFQVHV-UHFFFAOYSA-N
MW407.92 g/mol
LogP6.20
Rot. Bonds6

About [5-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]-3-pyridinyl]methanol

[5-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]-3-pyridinyl]methanol (PubChem CID 10179597) has the molecular formula C23H18ClNO2S and a molecular weight of 407.92 g/mol. Its IUPAC name is [5-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]-3-pyridinyl]methanol
PubChem CID10179597
Molecular FormulaC23H18ClNO2S
Molecular Weight407.92 g/mol
Exact Mass407.07
IUPAC Name[5-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]-3-pyridinyl]methanol
SMILESOCc1cncc(-c2sccc2-c2cc(Cl)ccc2OCc2ccccc2)c1
InChIInChI=1S/C23H18ClNO2S/c24-19-6-7-22(27-15-16-4-2-1-3-5-16)21(11-19)20-8-9-28-23(20)18-10-17(14-26)12-25-13-18/h1-13,26H,14-15H2
InChIKeyBCNFLWJPXFQVHV-UHFFFAOYSA-N
XLogP6.20
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.92
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]-3-pyridinyl]methanol?
The IUPAC name of [5-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]-3-pyridinyl]methanol (CID 10179597) is [5-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]-3-pyridinyl]methanol.
What is the SMILES notation for [5-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]-3-pyridinyl]methanol?
The canonical SMILES for [5-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]-3-pyridinyl]methanol is OCc1cncc(-c2sccc2-c2cc(Cl)ccc2OCc2ccccc2)c1.
What is the InChIKey of [5-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]-3-pyridinyl]methanol?
The InChIKey is BCNFLWJPXFQVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO2S/c24-19-6-7-22(27-15-16-4-2-1-3-5-16)21(11-19)20-8-9-28-23(20)18-10-17(14-26)12-25-13-18/h1-13,26H,14-15H2.
What are the key properties of [5-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]-3-pyridinyl]methanol?
[5-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]-3-pyridinyl]methanol has a molecular weight of 407.92 g/mol, XLogP of 6.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]-3-pyridinyl]methanol is sourced from PubChem (CID 10179597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).