(2-chloro-6-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanol

C16H18ClNO3 — CID 104817389

IUPAC(2-chloro-6-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanol
SMILESCCCOc1cncc(C(O)c2c(Cl)cccc2OC)c1
InChIInChI=1S/C16H18ClNO3/c1-3-7-21-12-8-11(9-18-10-12)16(19)15-13(17)5-4-6-14(15)20-2/h4-6,8-10,16,19H,3,7H2,1-2H3
InChIKeyUQANDZICYFAWAY-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.61
Rot. Bonds6

About (2-chloro-6-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanol

(2-chloro-6-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanol (PubChem CID 104817389) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is (2-chloro-6-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanol.

Molecular Properties

Compound Name(2-chloro-6-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanol
PubChem CID104817389
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Name(2-chloro-6-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanol
SMILESCCCOc1cncc(C(O)c2c(Cl)cccc2OC)c1
InChIInChI=1S/C16H18ClNO3/c1-3-7-21-12-8-11(9-18-10-12)16(19)15-13(17)5-4-6-14(15)20-2/h4-6,8-10,16,19H,3,7H2,1-2H3
InChIKeyUQANDZICYFAWAY-UHFFFAOYSA-N
XLogP3.61
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chloro-3-fluorophenyl)-(5-propoxy-3-pyridinyl)methanol
CID 115829228
(2-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methanol
CID 115829191
(2-methoxyphenyl)-(3-propoxyphenyl)methanol
CID 63894602
(3-chloro-4-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanol
CID 103408210
1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026800
1-(5-propoxy-3-pyridinyl)butane-1,2-diol
CID 103454750
(2,5-dimethylfuran-3-yl)-(5-propoxy-3-pyridinyl)methanol
CID 115829129
(2-fluoro-4-methylphenyl)-(5-propoxy-3-pyridinyl)methanol
CID 115829147
2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanol
CID 115829169
1-(5-methoxy-3-pyridinyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 105025977
[(3-chlorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
CID 105194775
2-ethyl-1-(5-propoxy-3-pyridinyl)butane-1,2-diol
CID 103449515

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanol?
The IUPAC name of (2-chloro-6-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanol (CID 104817389) is (2-chloro-6-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanol.
What is the SMILES notation for (2-chloro-6-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanol?
The canonical SMILES for (2-chloro-6-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanol is CCCOc1cncc(C(O)c2c(Cl)cccc2OC)c1.
What is the InChIKey of (2-chloro-6-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanol?
The InChIKey is UQANDZICYFAWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3/c1-3-7-21-12-8-11(9-18-10-12)16(19)15-13(17)5-4-6-14(15)20-2/h4-6,8-10,16,19H,3,7H2,1-2H3.
What are the key properties of (2-chloro-6-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanol?
(2-chloro-6-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanol has a molecular weight of 307.78 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanol is sourced from PubChem (CID 104817389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).