1,4-ditert-butylbenzene;ethylcyclohexane;1-methoxy-4-(4-methoxyphenyl)benzene;methylsulfonylmethane;propane

C41H66O4S — CID 160743357

IUPAC1,4-ditert-butylbenzene;ethylcyclohexane;1-methoxy-4-(4-methoxyphenyl)benzene;methylsulfonylmethane;propane
SMILESCC(C)(C)c1ccc(C(C)(C)C)cc1.CCC.CCC1CCCCC1.COc1ccc(-c2ccc(OC)cc2)cc1.CS(C)(=O)=O
InChIInChI=1S/C14H14O2.C14H22.C8H16.C3H8.C2H6O2S/c1-15-13-7-3-11(4-8-13)12-5-9-14(16-2)10-6-12;1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;1-2-8-6-4-3-5-7-8;1-3-2;1-5(2,3)4/h3-10H,1-2H3;7-10H,1-6H3;8H,2-7H2,1H3;3H2,1-2H3;1-2H3
InChIKeyRVWMFTZIUJPDGV-UHFFFAOYSA-N
MW655.04 g/mol
LogP11.71
Rot. Bonds4

About 1,4-ditert-butylbenzene;ethylcyclohexane;1-methoxy-4-(4-methoxyphenyl)benzene;methylsulfonylmethane;propane

1,4-ditert-butylbenzene;ethylcyclohexane;1-methoxy-4-(4-methoxyphenyl)benzene;methylsulfonylmethane;propane (PubChem CID 160743357) has the molecular formula C41H66O4S and a molecular weight of 655.04 g/mol. Its IUPAC name is 1,4-ditert-butylbenzene;ethylcyclohexane;1-methoxy-4-(4-methoxyphenyl)benzene;methylsulfonylmethane;propane.

Molecular Properties

Compound Name1,4-ditert-butylbenzene;ethylcyclohexane;1-methoxy-4-(4-methoxyphenyl)benzene;methylsulfonylmethane;propane
PubChem CID160743357
Molecular FormulaC41H66O4S
Molecular Weight655.04 g/mol
Exact Mass654.47
IUPAC Name1,4-ditert-butylbenzene;ethylcyclohexane;1-methoxy-4-(4-methoxyphenyl)benzene;methylsulfonylmethane;propane
SMILESCC(C)(C)c1ccc(C(C)(C)C)cc1.CCC.CCC1CCCCC1.COc1ccc(-c2ccc(OC)cc2)cc1.CS(C)(=O)=O
InChIInChI=1S/C14H14O2.C14H22.C8H16.C3H8.C2H6O2S/c1-15-13-7-3-11(4-8-13)12-5-9-14(16-2)10-6-12;1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;1-2-8-6-4-3-5-7-8;1-3-2;1-5(2,3)4/h3-10H,1-2H3;7-10H,1-6H3;8H,2-7H2,1H3;3H2,1-2H3;1-2H3
InChIKeyRVWMFTZIUJPDGV-UHFFFAOYSA-N
XLogP11.71
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.04
LogP ≤ 511.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,4-ditert-butylbenzene;ethylcyclohexane;1-methoxy-4-(4-methoxyphenyl)benzene;methylsulfonylmethane;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1'-(Phenylmethylene)bis(4-methoxybenzene)
CID 82012
4,4'''-Bis((2-butyloctyl)oxy)-1,1':4',1'':4'',1'''-quaterphenyl
CID 86734
Enteropeptidase
CID 168009870
1-[1,1-Bis(4-methoxyphenyl)ethyl]-4-[1-(4-methoxyphenyl)-1-methyl-ethyl]benzene
CID 23379898
Benzene, 1,1'-(1-phenylethylidene)bis(4-(heptyloxy)-
CID 118993836
Polynucleotide 5'-Hydroxyl-Kinase
CID 168266258
1,1'-(4,4'-Bis(methoxy)biphenyl-3,3'-diyl)bis(tricyclo(3.3.1.13,7)decane)
CID 24880244
1,1'-Biphenyl, 4-methoxy-4'-(trans-4-propylcyclohexyl)-
CID 19380607
4-Methoxy-4'-(4-pentylcyclohexyl)-1,1'-biphenyl
CID 20538940
4cHMeOB
CID 20539305
4-Methoxy-4''-pentyl-1,1':4',1''-terphenyl
CID 23391126
4-Ethyl-4''-methoxy-1,1':4',1''-terphenyl
CID 23391154

Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butylbenzene;ethylcyclohexane;1-methoxy-4-(4-methoxyphenyl)benzene;methylsulfonylmethane;propane?
The IUPAC name of 1,4-ditert-butylbenzene;ethylcyclohexane;1-methoxy-4-(4-methoxyphenyl)benzene;methylsulfonylmethane;propane (CID 160743357) is 1,4-ditert-butylbenzene;ethylcyclohexane;1-methoxy-4-(4-methoxyphenyl)benzene;methylsulfonylmethane;propane.
What is the SMILES notation for 1,4-ditert-butylbenzene;ethylcyclohexane;1-methoxy-4-(4-methoxyphenyl)benzene;methylsulfonylmethane;propane?
The canonical SMILES for 1,4-ditert-butylbenzene;ethylcyclohexane;1-methoxy-4-(4-methoxyphenyl)benzene;methylsulfonylmethane;propane is CC(C)(C)c1ccc(C(C)(C)C)cc1.CCC.CCC1CCCCC1.COc1ccc(-c2ccc(OC)cc2)cc1.CS(C)(=O)=O.
What is the InChIKey of 1,4-ditert-butylbenzene;ethylcyclohexane;1-methoxy-4-(4-methoxyphenyl)benzene;methylsulfonylmethane;propane?
The InChIKey is RVWMFTZIUJPDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2.C14H22.C8H16.C3H8.C2H6O2S/c1-15-13-7-3-11(4-8-13)12-5-9-14(16-2)10-6-12;1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;1-2-8-6-4-3-5-7-8;1-3-2;1-5(2,3)4/h3-10H,1-2H3;7-10H,1-6H3;8H,2-7H2,1H3;3H2,1-2H3;1-2H3.
What are the key properties of 1,4-ditert-butylbenzene;ethylcyclohexane;1-methoxy-4-(4-methoxyphenyl)benzene;methylsulfonylmethane;propane?
1,4-ditert-butylbenzene;ethylcyclohexane;1-methoxy-4-(4-methoxyphenyl)benzene;methylsulfonylmethane;propane has a molecular weight of 655.04 g/mol, XLogP of 11.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butylbenzene;ethylcyclohexane;1-methoxy-4-(4-methoxyphenyl)benzene;methylsulfonylmethane;propane is sourced from PubChem (CID 160743357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).