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

C17H18ClNO3 — CID 11529834

IUPAC(4-chlorophenyl)-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol
SMILESCc1ncc(C(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
InChIKeySVZOJRDBMRXDLL-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.77
Rot. Bonds2

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

(4-chlorophenyl)-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol (PubChem CID 11529834) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is (4-chlorophenyl)-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol
PubChem CID11529834
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name(4-chlorophenyl)-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol
SMILESCc1ncc(C(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
InChIKeySVZOJRDBMRXDLL-UHFFFAOYSA-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 (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

Cicletanine
CID 54910
2,2,8-Trimethyl-4H-1,3-dioxino(4,5-c)pyridine-5-methanol
CID 70818
Cicletanine Hydrochloride
CID 54909
(E)-2-((diethylamino)methyl)-5-(2-(2,2,8-trimethyl-4H-[1,3]-dioxino[4,5-c]pyridin-5-yl)vinyl)phenol (8b)
CID 126842843
(e)-3-(2-(2,2,8-Trimethyl-4h-[1,3]dioxino[4,5-c]pyridin-5-yl)vinyl)phenol
CID 126842833
Mls002703986
CID 267824
Cicletanine, (R)-
CID 9816681
8-(Chloromethyl)-3,3-dimethyl-9-phenylmethoxy-1,5-dihydro-[1,3]dioxepino[5,6-c]pyridine;hydrochloride
CID 90672146
Mao-B-IN-13
CID 164886618
(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol;hydrochloride
CID 12311203
(5-(Benzyloxy)-4,6-dimethylpyridin-3-yl)methanol
CID 10083141
(2,2,8-Trimethyl-4H-(1,3)dioxino(4,5-C)pyridin-5-yl)methanol hydrochloride
CID 112500408

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol?
The IUPAC name of (4-chlorophenyl)-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol (CID 11529834) is (4-chlorophenyl)-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol.
What is the SMILES notation for (4-chlorophenyl)-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol?
The canonical SMILES for (4-chlorophenyl)-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol is Cc1ncc(C(O)c2ccc(Cl)cc2)c2c1OC(C)(C)OC2.
What is the InChIKey of (4-chlorophenyl)-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol?
The InChIKey is SVZOJRDBMRXDLL-UHFFFAOYSA-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.
What are the key properties of (4-chlorophenyl)-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol?
(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 (4-chlorophenyl)-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol is sourced from PubChem (CID 11529834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).