4-chloro-2-ethyl-1-methoxybenzene;1,2-dichloro-4-ethylbenzene;2,4-dichloro-1-ethylbenzene;(2S,6R)-4-(4-ethyl-2,3-difluorophenyl)-2,6-dimethylmorpholine;4-ethyl-1,2-dimethoxybenzene;(2S,6R)-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,6-dimethylmorpholine;hexakis(methylcyclohexane);hexakis(propane-2-sulfinate)

C123H203Cl5F6N2O17S6-6 — CID 158727976

IUPAC4-chloro-2-ethyl-1-methoxybenzene;1,2-dichloro-4-ethylbenzene;2,4-dichloro-1-ethylbenzene;(2S,6R)-4-(4-ethyl-2,3-difluorophenyl)-2,6-dimethylmorpholine;4-ethyl-1,2-dimethoxybenzene;(2S,6R)-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,6-dimethylmorpholine;hexakis(methylcyclohexane);hexakis(propane-2-sulfinate)
SMILESCC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CCc1c(F)c(F)c(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1F.CCc1cc(Cl)ccc1OC.CCc1ccc(Cl)c(Cl)c1.CCc1ccc(Cl)cc1Cl.CCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1F.CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C14H17F4NO.C14H19F2NO.C10H14O2.C9H11ClO.2C8H8Cl2.6C7H14.6C3H8O2S/c1-4-9-10(15)12(17)14(13(18)11(9)16)19-5-7(2)20-8(3)6-19;1-4-11-5-6-12(14(16)13(11)15)17-7-9(2)18-10(3)8-17;1-4-8-5-6-9(11-2)10(7-8)12-3;1-3-7-6-8(10)4-5-9(7)11-2;1-2-6-3-4-7(9)5-8(6)10;1-2-6-3-4-7(9)8(10)5-6;6*1-7-5-3-2-4-6-7;6*1-3(2)6(4)5/h7-8H,4-6H2,1-3H3;5-6,9-10H,4,7-8H2,1-3H3;5-7H,4H2,1-3H3;4-6H,3H2,1-2H3;2*3-5H,2H2,1H3;6*7H,2-6H2,1H3;6*3H,1-2H3,(H,4,5)/p-6/t7-,8+;9-,10+;;;;;;;;;;;;;;;;
InChIKeyONDJSFJKCAWLJA-FZRFNMMYSA-H
MW2465.63 g/mol
LogP36.01
Rot. Bonds17

About 4-chloro-2-ethyl-1-methoxybenzene;1,2-dichloro-4-ethylbenzene;2,4-dichloro-1-ethylbenzene;(2S,6R)-4-(4-ethyl-2,3-difluorophenyl)-2,6-dimethylmorpholine;4-ethyl-1,2-dimethoxybenzene;(2S,6R)-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,6-dimethylmorpholine;hexakis(methylcyclohexane);hexakis(propane-2-sulfinate)

4-chloro-2-ethyl-1-methoxybenzene;1,2-dichloro-4-ethylbenzene;2,4-dichloro-1-ethylbenzene;(2S,6R)-4-(4-ethyl-2,3-difluorophenyl)-2,6-dimethylmorpholine;4-ethyl-1,2-dimethoxybenzene;(2S,6R)-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,6-dimethylmorpholine;hexakis(methylcyclohexane);hexakis(propane-2-sulfinate) (PubChem CID 158727976) has the molecular formula C123H203Cl5F6N2O17S6-6 and a molecular weight of 2465.63 g/mol. Its IUPAC name is 4-chloro-2-ethyl-1-methoxybenzene;1,2-dichloro-4-ethylbenzene;2,4-dichloro-1-ethylbenzene;(2S,6R)-4-(4-ethyl-2,3-difluorophenyl)-2,6-dimethylmorpholine;4-ethyl-1,2-dimethoxybenzene;(2S,6R)-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,6-dimethylmorpholine;hexakis(methylcyclohexane);hexakis(propane-2-sulfinate).

Molecular Properties

Compound Name4-chloro-2-ethyl-1-methoxybenzene;1,2-dichloro-4-ethylbenzene;2,4-dichloro-1-ethylbenzene;(2S,6R)-4-(4-ethyl-2,3-difluorophenyl)-2,6-dimethylmorpholine;4-ethyl-1,2-dimethoxybenzene;(2S,6R)-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,6-dimethylmorpholine;hexakis(methylcyclohexane);hexakis(propane-2-sulfinate)
PubChem CID158727976
Molecular FormulaC123H203Cl5F6N2O17S6-6
Molecular Weight2465.63 g/mol
Exact Mass2461.18
IUPAC Name4-chloro-2-ethyl-1-methoxybenzene;1,2-dichloro-4-ethylbenzene;2,4-dichloro-1-ethylbenzene;(2S,6R)-4-(4-ethyl-2,3-difluorophenyl)-2,6-dimethylmorpholine;4-ethyl-1,2-dimethoxybenzene;(2S,6R)-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,6-dimethylmorpholine;hexakis(methylcyclohexane);hexakis(propane-2-sulfinate)
SMILESCC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CCc1c(F)c(F)c(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1F.CCc1cc(Cl)ccc1OC.CCc1ccc(Cl)c(Cl)c1.CCc1ccc(Cl)cc1Cl.CCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1F.CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C14H17F4NO.C14H19F2NO.C10H14O2.C9H11ClO.2C8H8Cl2.6C7H14.6C3H8O2S/c1-4-9-10(15)12(17)14(13(18)11(9)16)19-5-7(2)20-8(3)6-19;1-4-11-5-6-12(14(16)13(11)15)17-7-9(2)18-10(3)8-17;1-4-8-5-6-9(11-2)10(7-8)12-3;1-3-7-6-8(10)4-5-9(7)11-2;1-2-6-3-4-7(9)5-8(6)10;1-2-6-3-4-7(9)8(10)5-6;6*1-7-5-3-2-4-6-7;6*1-3(2)6(4)5/h7-8H,4-6H2,1-3H3;5-6,9-10H,4,7-8H2,1-3H3;5-7H,4H2,1-3H3;4-6H,3H2,1-2H3;2*3-5H,2H2,1H3;6*7H,2-6H2,1H3;6*3H,1-2H3,(H,4,5)/p-6/t7-,8+;9-,10+;;;;;;;;;;;;;;;;
InChIKeyONDJSFJKCAWLJA-FZRFNMMYSA-H
XLogP36.01
TPSA293.41 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds17
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002465.63
LogP ≤ 536.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 4-chloro-2-ethyl-1-methoxybenzene;1,2-dichloro-4-ethylbenzene;2,4-dichloro-1-ethylbenzene;(2S,6R)-4-(4-ethyl-2,3-difluorophenyl)-2,6-dimethylmorpholine;4-ethyl-1,2-dimethoxybenzene;(2S,6R)-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,6-dimethylmorpholine;hexakis(methylcyclohexane);hexakis(propane-2-sulfinate) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-1-methoxybenzene;1,2-dichloro-4-ethylbenzene;2,4-dichloro-1-ethylbenzene;(2S,6R)-4-(4-ethyl-2,3-difluorophenyl)-2,6-dimethylmorpholine;4-ethyl-1,2-dimethoxybenzene;(2S,6R)-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,6-dimethylmorpholine;hexakis(methylcyclohexane);hexakis(propane-2-sulfinate)?
The IUPAC name of 4-chloro-2-ethyl-1-methoxybenzene;1,2-dichloro-4-ethylbenzene;2,4-dichloro-1-ethylbenzene;(2S,6R)-4-(4-ethyl-2,3-difluorophenyl)-2,6-dimethylmorpholine;4-ethyl-1,2-dimethoxybenzene;(2S,6R)-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,6-dimethylmorpholine;hexakis(methylcyclohexane);hexakis(propane-2-sulfinate) (CID 158727976) is 4-chloro-2-ethyl-1-methoxybenzene;1,2-dichloro-4-ethylbenzene;2,4-dichloro-1-ethylbenzene;(2S,6R)-4-(4-ethyl-2,3-difluorophenyl)-2,6-dimethylmorpholine;4-ethyl-1,2-dimethoxybenzene;(2S,6R)-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,6-dimethylmorpholine;hexakis(methylcyclohexane);hexakis(propane-2-sulfinate).
What is the SMILES notation for 4-chloro-2-ethyl-1-methoxybenzene;1,2-dichloro-4-ethylbenzene;2,4-dichloro-1-ethylbenzene;(2S,6R)-4-(4-ethyl-2,3-difluorophenyl)-2,6-dimethylmorpholine;4-ethyl-1,2-dimethoxybenzene;(2S,6R)-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,6-dimethylmorpholine;hexakis(methylcyclohexane);hexakis(propane-2-sulfinate)?
The canonical SMILES for 4-chloro-2-ethyl-1-methoxybenzene;1,2-dichloro-4-ethylbenzene;2,4-dichloro-1-ethylbenzene;(2S,6R)-4-(4-ethyl-2,3-difluorophenyl)-2,6-dimethylmorpholine;4-ethyl-1,2-dimethoxybenzene;(2S,6R)-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,6-dimethylmorpholine;hexakis(methylcyclohexane);hexakis(propane-2-sulfinate) is CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CCc1c(F)c(F)c(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1F.CCc1cc(Cl)ccc1OC.CCc1ccc(Cl)c(Cl)c1.CCc1ccc(Cl)cc1Cl.CCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1F.CCc1ccc(OC)c(OC)c1.
What is the InChIKey of 4-chloro-2-ethyl-1-methoxybenzene;1,2-dichloro-4-ethylbenzene;2,4-dichloro-1-ethylbenzene;(2S,6R)-4-(4-ethyl-2,3-difluorophenyl)-2,6-dimethylmorpholine;4-ethyl-1,2-dimethoxybenzene;(2S,6R)-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,6-dimethylmorpholine;hexakis(methylcyclohexane);hexakis(propane-2-sulfinate)?
The InChIKey is ONDJSFJKCAWLJA-FZRFNMMYSA-H. The full InChI is InChI=1S/C14H17F4NO.C14H19F2NO.C10H14O2.C9H11ClO.2C8H8Cl2.6C7H14.6C3H8O2S/c1-4-9-10(15)12(17)14(13(18)11(9)16)19-5-7(2)20-8(3)6-19;1-4-11-5-6-12(14(16)13(11)15)17-7-9(2)18-10(3)8-17;1-4-8-5-6-9(11-2)10(7-8)12-3;1-3-7-6-8(10)4-5-9(7)11-2;1-2-6-3-4-7(9)5-8(6)10;1-2-6-3-4-7(9)8(10)5-6;6*1-7-5-3-2-4-6-7;6*1-3(2)6(4)5/h7-8H,4-6H2,1-3H3;5-6,9-10H,4,7-8H2,1-3H3;5-7H,4H2,1-3H3;4-6H,3H2,1-2H3;2*3-5H,2H2,1H3;6*7H,2-6H2,1H3;6*3H,1-2H3,(H,4,5)/p-6/t7-,8+;9-,10+;;;;;;;;;;;;;;;;.
What are the key properties of 4-chloro-2-ethyl-1-methoxybenzene;1,2-dichloro-4-ethylbenzene;2,4-dichloro-1-ethylbenzene;(2S,6R)-4-(4-ethyl-2,3-difluorophenyl)-2,6-dimethylmorpholine;4-ethyl-1,2-dimethoxybenzene;(2S,6R)-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,6-dimethylmorpholine;hexakis(methylcyclohexane);hexakis(propane-2-sulfinate)?
4-chloro-2-ethyl-1-methoxybenzene;1,2-dichloro-4-ethylbenzene;2,4-dichloro-1-ethylbenzene;(2S,6R)-4-(4-ethyl-2,3-difluorophenyl)-2,6-dimethylmorpholine;4-ethyl-1,2-dimethoxybenzene;(2S,6R)-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,6-dimethylmorpholine;hexakis(methylcyclohexane);hexakis(propane-2-sulfinate) has a molecular weight of 2465.63 g/mol, XLogP of 36.01, 17 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-1-methoxybenzene;1,2-dichloro-4-ethylbenzene;2,4-dichloro-1-ethylbenzene;(2S,6R)-4-(4-ethyl-2,3-difluorophenyl)-2,6-dimethylmorpholine;4-ethyl-1,2-dimethoxybenzene;(2S,6R)-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,6-dimethylmorpholine;hexakis(methylcyclohexane);hexakis(propane-2-sulfinate) is sourced from PubChem (CID 158727976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).