(4aS,9bR)-6-cyclohexyloxy-8-(2,4-dichlorophenyl)-9b-methyl-2,3,4,4a-tetrahydro-1H-[1]benzofuro[3,2-c]pyridine

C24H27Cl2NO2 — CID 142203316

IUPAC(4aS,9bR)-6-cyclohexyloxy-8-(2,4-dichlorophenyl)-9b-methyl-2,3,4,4a-tetrahydro-1H-[1]benzofuro[3,2-c]pyridine
SMILESC[C@@]12CNCC[C@@H]1Oc1c(OC3CCCCC3)cc(-c3ccc(Cl)cc3Cl)cc12
InChIInChI=1S/C24H27Cl2NO2/c1-24-14-27-10-9-22(24)29-23-19(24)11-15(18-8-7-16(25)13-20(18)26)12-21(23)28-17-5-3-2-4-6-17/h7-8,11-13,17,22,27H,2-6,9-10,14H2,1H3/t22-,24-/m0/s1
InChIKeyOVRZTRPWOCSMTD-UPVQGACJSA-N
MW432.39 g/mol
LogP6.38
Rot. Bonds3

About (4aS,9bR)-6-cyclohexyloxy-8-(2,4-dichlorophenyl)-9b-methyl-2,3,4,4a-tetrahydro-1H-[1]benzofuro[3,2-c]pyridine

(4aS,9bR)-6-cyclohexyloxy-8-(2,4-dichlorophenyl)-9b-methyl-2,3,4,4a-tetrahydro-1H-[1]benzofuro[3,2-c]pyridine (PubChem CID 142203316) has the molecular formula C24H27Cl2NO2 and a molecular weight of 432.39 g/mol. Its IUPAC name is (4aS,9bR)-6-cyclohexyloxy-8-(2,4-dichlorophenyl)-9b-methyl-2,3,4,4a-tetrahydro-1H-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name(4aS,9bR)-6-cyclohexyloxy-8-(2,4-dichlorophenyl)-9b-methyl-2,3,4,4a-tetrahydro-1H-[1]benzofuro[3,2-c]pyridine
PubChem CID142203316
Molecular FormulaC24H27Cl2NO2
Molecular Weight432.39 g/mol
Exact Mass431.14
IUPAC Name(4aS,9bR)-6-cyclohexyloxy-8-(2,4-dichlorophenyl)-9b-methyl-2,3,4,4a-tetrahydro-1H-[1]benzofuro[3,2-c]pyridine
SMILESC[C@@]12CNCC[C@@H]1Oc1c(OC3CCCCC3)cc(-c3ccc(Cl)cc3Cl)cc12
InChIInChI=1S/C24H27Cl2NO2/c1-24-14-27-10-9-22(24)29-23-19(24)11-15(18-8-7-16(25)13-20(18)26)12-21(23)28-17-5-3-2-4-6-17/h7-8,11-13,17,22,27H,2-6,9-10,14H2,1H3/t22-,24-/m0/s1
InChIKeyOVRZTRPWOCSMTD-UPVQGACJSA-N
XLogP6.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.39
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4aS,9bR)-6-cyclohexyloxy-8-(2,4-dichlorophenyl)-9b-methyl-2,3,4,4a-tetrahydro-1H-[1]benzofuro[3,2-c]pyridine with MolForge

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Related Compounds

(4aS,9bR)-8-(2,4-dichlorophenyl)-N-ethyl-N,9b-dimethyl-2,3,4,4a-tetrahydro-1H-[1]benzofuro[3,2-c]pyridin-6-amine
CID 142203306
6-cyclohexyloxy-8-(2,4-dichlorophenyl)-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridine
CID 10136777
8-(2,4-dichlorophenyl)-6-propan-2-yloxy-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridine
CID 10110175
N-cyclohexyl-8-(2,4-dichlorophenyl)-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridin-6-amine
CID 10180202
(4aS,9bR)-6-cyclohexyl-8-(2,4-dichlorophenyl)-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridine
CID 20741534
(4aS)-6-cyclohexyl-8-(2,4-dichlorophenyl)-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridine
CID 142203317
4-chloro-1-cyclopentyloxy-2-fluorobenzene
CID 130163329
4-(4-chloro-2-cyclohexylphenoxy)piperidine
CID 22397483
4-chloro-2-cyclobutyloxy-1-cyclopentyloxybenzene
CID 90887277
4-(4-chloro-2-fluorophenoxy)piperidine;hydrochloride
CID 46735703
5-chloro-2-cyclohexyloxybenzenecarbothioamide
CID 62493544
5-chloro-2-cyclohexyloxybenzoic acid
CID 43141867

Frequently Asked Questions

What is the IUPAC name of (4aS,9bR)-6-cyclohexyloxy-8-(2,4-dichlorophenyl)-9b-methyl-2,3,4,4a-tetrahydro-1H-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of (4aS,9bR)-6-cyclohexyloxy-8-(2,4-dichlorophenyl)-9b-methyl-2,3,4,4a-tetrahydro-1H-[1]benzofuro[3,2-c]pyridine (CID 142203316) is (4aS,9bR)-6-cyclohexyloxy-8-(2,4-dichlorophenyl)-9b-methyl-2,3,4,4a-tetrahydro-1H-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for (4aS,9bR)-6-cyclohexyloxy-8-(2,4-dichlorophenyl)-9b-methyl-2,3,4,4a-tetrahydro-1H-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for (4aS,9bR)-6-cyclohexyloxy-8-(2,4-dichlorophenyl)-9b-methyl-2,3,4,4a-tetrahydro-1H-[1]benzofuro[3,2-c]pyridine is C[C@@]12CNCC[C@@H]1Oc1c(OC3CCCCC3)cc(-c3ccc(Cl)cc3Cl)cc12.
What is the InChIKey of (4aS,9bR)-6-cyclohexyloxy-8-(2,4-dichlorophenyl)-9b-methyl-2,3,4,4a-tetrahydro-1H-[1]benzofuro[3,2-c]pyridine?
The InChIKey is OVRZTRPWOCSMTD-UPVQGACJSA-N. The full InChI is InChI=1S/C24H27Cl2NO2/c1-24-14-27-10-9-22(24)29-23-19(24)11-15(18-8-7-16(25)13-20(18)26)12-21(23)28-17-5-3-2-4-6-17/h7-8,11-13,17,22,27H,2-6,9-10,14H2,1H3/t22-,24-/m0/s1.
What are the key properties of (4aS,9bR)-6-cyclohexyloxy-8-(2,4-dichlorophenyl)-9b-methyl-2,3,4,4a-tetrahydro-1H-[1]benzofuro[3,2-c]pyridine?
(4aS,9bR)-6-cyclohexyloxy-8-(2,4-dichlorophenyl)-9b-methyl-2,3,4,4a-tetrahydro-1H-[1]benzofuro[3,2-c]pyridine has a molecular weight of 432.39 g/mol, XLogP of 6.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,9bR)-6-cyclohexyloxy-8-(2,4-dichlorophenyl)-9b-methyl-2,3,4,4a-tetrahydro-1H-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 142203316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).