(S)-(4-chlorophenyl)-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol

C17H18ClNO3 — CID 11758998

IUPAC(S)-(4-chlorophenyl)-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol
SMILESCc1ncc([C@@H](O)c2ccc(Cl)cc2)c2c1OC(C)(C)OC2
InChIInChI=1S/C17H18ClNO3/c1-10-16-14(9-21-17(2,3)22-16)13(8-19-10)15(20)11-4-6-12(18)7-5-11/h4-8,15,20H,9H2,1-3H3/t15-/m0/s1
InChIKeySVZOJRDBMRXDLL-HNNXBMFYSA-N
MW319.79 g/mol
LogP3.77
Rot. Bonds2

About (S)-(4-chlorophenyl)-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol

(S)-(4-chlorophenyl)-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol (PubChem CID 11758998) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is (S)-(4-chlorophenyl)-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol.

Molecular Properties

Compound Name(S)-(4-chlorophenyl)-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol
PubChem CID11758998
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name(S)-(4-chlorophenyl)-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol
SMILESCc1ncc([C@@H](O)c2ccc(Cl)cc2)c2c1OC(C)(C)OC2
InChIInChI=1S/C17H18ClNO3/c1-10-16-14(9-21-17(2,3)22-16)13(8-19-10)15(20)11-4-6-12(18)7-5-11/h4-8,15,20H,9H2,1-3H3/t15-/m0/s1
InChIKeySVZOJRDBMRXDLL-HNNXBMFYSA-N
XLogP3.77
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (S)-(4-chlorophenyl)-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol with MolForge

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Related Compounds

1-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)ethylphosphonic acid
CID 142082166
methyl 5-[(4-fluorophenyl)-hydroxymethyl]-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylate
CID 67294267
1-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)ethane-1,2-dithiol
CID 14656751
4-[(E)-2-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)ethenyl]phenol
CID 164886618
5-[dimethylphosphoryl(fluoro)methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol;5-[dimethylphosphoryl(fluoro)methyl]-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine;[fluoro-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl]phosphonic acid
CID 91092545
ethyl (E)-3-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)prop-2-enoate
CID 23271713
(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol;4-[(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methoxy]benzonitrile
CID 160586477
(4-chlorophenyl)-(3,5-dimethyl-2-pyridinyl)methanol
CID 113365542
tert-butyl (2S)-2-(benzhydrylideneamino)-3-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)propanoate
CID 10323140
3-fluoro-4-[4-[(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methyl]piperazin-1-yl]aniline
CID 177254021
(4-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol
CID 61101584
(2-bromo-4,5-dimethylphenyl)-(4-chlorophenyl)methanol
CID 139494105

Frequently Asked Questions

What is the IUPAC name of (S)-(4-chlorophenyl)-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol?
The IUPAC name of (S)-(4-chlorophenyl)-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol (CID 11758998) is (S)-(4-chlorophenyl)-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol.
What is the SMILES notation for (S)-(4-chlorophenyl)-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol?
The canonical SMILES for (S)-(4-chlorophenyl)-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol is Cc1ncc([C@@H](O)c2ccc(Cl)cc2)c2c1OC(C)(C)OC2.
What is the InChIKey of (S)-(4-chlorophenyl)-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol?
The InChIKey is SVZOJRDBMRXDLL-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-10-16-14(9-21-17(2,3)22-16)13(8-19-10)15(20)11-4-6-12(18)7-5-11/h4-8,15,20H,9H2,1-3H3/t15-/m0/s1.
What are the key properties of (S)-(4-chlorophenyl)-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol?
(S)-(4-chlorophenyl)-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol has a molecular weight of 319.79 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-chlorophenyl)-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol is sourced from PubChem (CID 11758998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).