2-[5-[(3,5-dichloro-2-pyridinyl)oxy]-2-ethylphenyl]cyclopentene-1,3-diol

C18H17Cl2NO3 — CID 130180863

IUPAC2-[5-[(3,5-dichloro-2-pyridinyl)oxy]-2-ethylphenyl]cyclopentene-1,3-diol
SMILESCCc1ccc(Oc2ncc(Cl)cc2Cl)cc1C1=C(O)CCC1O
InChIInChI=1S/C18H17Cl2NO3/c1-2-10-3-4-12(24-18-14(20)7-11(19)9-21-18)8-13(10)17-15(22)5-6-16(17)23/h3-4,7-9,15,22-23H,2,5-6H2,1H3
InChIKeyBYFHFWRRWYXOSH-UHFFFAOYSA-N
MW366.24 g/mol
LogP5.17
Rot. Bonds4

About 2-[5-[(3,5-dichloro-2-pyridinyl)oxy]-2-ethylphenyl]cyclopentene-1,3-diol

2-[5-[(3,5-dichloro-2-pyridinyl)oxy]-2-ethylphenyl]cyclopentene-1,3-diol (PubChem CID 130180863) has the molecular formula C18H17Cl2NO3 and a molecular weight of 366.24 g/mol. Its IUPAC name is 2-[5-[(3,5-dichloro-2-pyridinyl)oxy]-2-ethylphenyl]cyclopentene-1,3-diol.

Molecular Properties

Compound Name2-[5-[(3,5-dichloro-2-pyridinyl)oxy]-2-ethylphenyl]cyclopentene-1,3-diol
PubChem CID130180863
Molecular FormulaC18H17Cl2NO3
Molecular Weight366.24 g/mol
Exact Mass365.06
IUPAC Name2-[5-[(3,5-dichloro-2-pyridinyl)oxy]-2-ethylphenyl]cyclopentene-1,3-diol
SMILESCCc1ccc(Oc2ncc(Cl)cc2Cl)cc1C1=C(O)CCC1O
InChIInChI=1S/C18H17Cl2NO3/c1-2-10-3-4-12(24-18-14(20)7-11(19)9-21-18)8-13(10)17-15(22)5-6-16(17)23/h3-4,7-9,15,22-23H,2,5-6H2,1H3
InChIKeyBYFHFWRRWYXOSH-UHFFFAOYSA-N
XLogP5.17
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.24
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3,5-dichloro-2-pyridinyl)oxy]-2-ethylphenyl]cyclopentene-1,3-diol?
The IUPAC name of 2-[5-[(3,5-dichloro-2-pyridinyl)oxy]-2-ethylphenyl]cyclopentene-1,3-diol (CID 130180863) is 2-[5-[(3,5-dichloro-2-pyridinyl)oxy]-2-ethylphenyl]cyclopentene-1,3-diol.
What is the SMILES notation for 2-[5-[(3,5-dichloro-2-pyridinyl)oxy]-2-ethylphenyl]cyclopentene-1,3-diol?
The canonical SMILES for 2-[5-[(3,5-dichloro-2-pyridinyl)oxy]-2-ethylphenyl]cyclopentene-1,3-diol is CCc1ccc(Oc2ncc(Cl)cc2Cl)cc1C1=C(O)CCC1O.
What is the InChIKey of 2-[5-[(3,5-dichloro-2-pyridinyl)oxy]-2-ethylphenyl]cyclopentene-1,3-diol?
The InChIKey is BYFHFWRRWYXOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO3/c1-2-10-3-4-12(24-18-14(20)7-11(19)9-21-18)8-13(10)17-15(22)5-6-16(17)23/h3-4,7-9,15,22-23H,2,5-6H2,1H3.
What are the key properties of 2-[5-[(3,5-dichloro-2-pyridinyl)oxy]-2-ethylphenyl]cyclopentene-1,3-diol?
2-[5-[(3,5-dichloro-2-pyridinyl)oxy]-2-ethylphenyl]cyclopentene-1,3-diol has a molecular weight of 366.24 g/mol, XLogP of 5.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3,5-dichloro-2-pyridinyl)oxy]-2-ethylphenyl]cyclopentene-1,3-diol is sourced from PubChem (CID 130180863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).