(3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanol

C16H18ClNO3 — CID 105094409

IUPAC(3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanol
SMILESCCOc1ccc(C(O)c2ccncc2Cl)cc1OCC
InChIInChI=1S/C16H18ClNO3/c1-3-20-14-6-5-11(9-15(14)21-4-2)16(19)12-7-8-18-10-13(12)17/h5-10,16,19H,3-4H2,1-2H3
InChIKeyHFYAMWDPGVGCSN-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.61
Rot. Bonds6

About (3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanol

(3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanol (PubChem CID 105094409) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is (3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanol.

Molecular Properties

Compound Name(3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanol
PubChem CID105094409
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Name(3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanol
SMILESCCOc1ccc(C(O)c2ccncc2Cl)cc1OCC
InChIInChI=1S/C16H18ClNO3/c1-3-20-14-6-5-11(9-15(14)21-4-2)16(19)12-7-8-18-10-13(12)17/h5-10,16,19H,3-4H2,1-2H3
InChIKeyHFYAMWDPGVGCSN-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

(3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanamine
CID 105143419
(3,4-diethoxyphenyl)-pyrimidin-2-ylmethanol
CID 62790303
(3-chloro-4-pyridinyl)-(3-propylphenyl)methanol
CID 105131021
1-(3-chloro-4-pyridinyl)propan-1-ol
CID 105088541
1-(3-ethoxy-4-pyridinyl)ethanol
CID 115013248
(4-amino-3-pyridinyl)-(3-chloro-4-methoxyphenyl)methanol
CID 65026706
(3,4-diethoxyphenyl)-(3-ethylimidazol-4-yl)methanol
CID 66134131
(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82758130
3-chloro-1-(3,4-diethoxyphenyl)propane-1,2-diol
CID 171863308
1-(3-chloro-4-pyridinyl)ethanol
CID 67428643
(3,4-diethoxyphenyl)-(thiadiazol-5-yl)methanol
CID 105094432
(5-bromo-2-pyridinyl)-(3,4-diethoxyphenyl)methanol
CID 115606169

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanol?
The IUPAC name of (3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanol (CID 105094409) is (3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanol.
What is the SMILES notation for (3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanol?
The canonical SMILES for (3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanol is CCOc1ccc(C(O)c2ccncc2Cl)cc1OCC.
What is the InChIKey of (3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanol?
The InChIKey is HFYAMWDPGVGCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3/c1-3-20-14-6-5-11(9-15(14)21-4-2)16(19)12-7-8-18-10-13(12)17/h5-10,16,19H,3-4H2,1-2H3.
What are the key properties of (3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanol?
(3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)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 (3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanol is sourced from PubChem (CID 105094409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).