(3,5-dichloro-2-pyridinyl)-(4-propoxyphenyl)methanol

C15H15Cl2NO2 — CID 79781093

IUPAC(3,5-dichloro-2-pyridinyl)-(4-propoxyphenyl)methanol
SMILESCCCOc1ccc(C(O)c2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H15Cl2NO2/c1-2-7-20-12-5-3-10(4-6-12)15(19)14-13(17)8-11(16)9-18-14/h3-6,8-9,15,19H,2,7H2,1H3
InChIKeyRXPJRDXTIJFUCZ-UHFFFAOYSA-N
MW312.20 g/mol
LogP4.26
Rot. Bonds5

About (3,5-dichloro-2-pyridinyl)-(4-propoxyphenyl)methanol

(3,5-dichloro-2-pyridinyl)-(4-propoxyphenyl)methanol (PubChem CID 79781093) has the molecular formula C15H15Cl2NO2 and a molecular weight of 312.20 g/mol. Its IUPAC name is (3,5-dichloro-2-pyridinyl)-(4-propoxyphenyl)methanol.

Molecular Properties

Compound Name(3,5-dichloro-2-pyridinyl)-(4-propoxyphenyl)methanol
PubChem CID79781093
Molecular FormulaC15H15Cl2NO2
Molecular Weight312.20 g/mol
Exact Mass311.05
IUPAC Name(3,5-dichloro-2-pyridinyl)-(4-propoxyphenyl)methanol
SMILESCCCOc1ccc(C(O)c2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H15Cl2NO2/c1-2-7-20-12-5-3-10(4-6-12)15(19)14-13(17)8-11(16)9-18-14/h3-6,8-9,15,19H,2,7H2,1H3
InChIKeyRXPJRDXTIJFUCZ-UHFFFAOYSA-N
XLogP4.26
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-methylphenyl)-(4-propoxyphenyl)methanol
CID 115795362
(4-butoxyphenyl)-(3,4-dichlorophenyl)methanol
CID 105133325
(4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanol
CID 63082099
(5-chloro-1,3-thiazol-2-yl)-(4-propoxyphenyl)methanol
CID 107124967
(3,5-dichloro-2-pyridinyl)-(3,4-difluorophenyl)methanol
CID 79780694
(6-methyl-3-pyridinyl)-(4-propoxyphenyl)methanol
CID 63895736
1-(3,5-dichloro-2-pyridinyl)-2-propoxyethanamine
CID 79780789
(4-ethylphenyl)-(4-propoxyphenyl)methanol
CID 62796114
bis(4-octoxyphenyl)methanol
CID 139262063
(6-methoxy-3-pyridinyl)-(4-propoxyphenyl)methanol
CID 114937776
(3-bromo-4-propoxyphenyl)-(4-chlorophenyl)methanol
CID 104661171
furan-2-yl-(4-propoxyphenyl)methanol
CID 62796281

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-2-pyridinyl)-(4-propoxyphenyl)methanol?
The IUPAC name of (3,5-dichloro-2-pyridinyl)-(4-propoxyphenyl)methanol (CID 79781093) is (3,5-dichloro-2-pyridinyl)-(4-propoxyphenyl)methanol.
What is the SMILES notation for (3,5-dichloro-2-pyridinyl)-(4-propoxyphenyl)methanol?
The canonical SMILES for (3,5-dichloro-2-pyridinyl)-(4-propoxyphenyl)methanol is CCCOc1ccc(C(O)c2ncc(Cl)cc2Cl)cc1.
What is the InChIKey of (3,5-dichloro-2-pyridinyl)-(4-propoxyphenyl)methanol?
The InChIKey is RXPJRDXTIJFUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2/c1-2-7-20-12-5-3-10(4-6-12)15(19)14-13(17)8-11(16)9-18-14/h3-6,8-9,15,19H,2,7H2,1H3.
What are the key properties of (3,5-dichloro-2-pyridinyl)-(4-propoxyphenyl)methanol?
(3,5-dichloro-2-pyridinyl)-(4-propoxyphenyl)methanol has a molecular weight of 312.20 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-2-pyridinyl)-(4-propoxyphenyl)methanol is sourced from PubChem (CID 79781093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).