8-chloro-7-methyl-3,4-dihydro-2H-chromene;5-chloro-6-methyl-1,2,3,4-tetrahydronaphthalene;1,2-dimethyl-4-propylbenzene;ethane

C40H64Cl2O — CID 143804569

IUPAC8-chloro-7-methyl-3,4-dihydro-2H-chromene;5-chloro-6-methyl-1,2,3,4-tetrahydronaphthalene;1,2-dimethyl-4-propylbenzene;ethane
SMILESCC.CC.CC.CC.CCCc1ccc(C)c(C)c1.Cc1ccc2c(c1Cl)CCCC2.Cc1ccc2c(c1Cl)OCCC2
InChIInChI=1S/C11H13Cl.C11H16.C10H11ClO.4C2H6/c1-8-6-7-9-4-2-3-5-10(9)11(8)12;1-4-5-11-7-6-9(2)10(3)8-11;1-7-4-5-8-3-2-6-12-10(8)9(7)11;4*1-2/h6-7H,2-5H2,1H3;6-8H,4-5H2,1-3H3;4-5H,2-3,6H2,1H3;4*1-2H3
InChIKeyZSDPOFXKGFCQQE-UHFFFAOYSA-N
MW631.86 g/mol
LogP13.86
Rot. Bonds2

About 8-chloro-7-methyl-3,4-dihydro-2H-chromene;5-chloro-6-methyl-1,2,3,4-tetrahydronaphthalene;1,2-dimethyl-4-propylbenzene;ethane

8-chloro-7-methyl-3,4-dihydro-2H-chromene;5-chloro-6-methyl-1,2,3,4-tetrahydronaphthalene;1,2-dimethyl-4-propylbenzene;ethane (PubChem CID 143804569) has the molecular formula C40H64Cl2O and a molecular weight of 631.86 g/mol. Its IUPAC name is 8-chloro-7-methyl-3,4-dihydro-2H-chromene;5-chloro-6-methyl-1,2,3,4-tetrahydronaphthalene;1,2-dimethyl-4-propylbenzene;ethane.

Molecular Properties

Compound Name8-chloro-7-methyl-3,4-dihydro-2H-chromene;5-chloro-6-methyl-1,2,3,4-tetrahydronaphthalene;1,2-dimethyl-4-propylbenzene;ethane
PubChem CID143804569
Molecular FormulaC40H64Cl2O
Molecular Weight631.86 g/mol
Exact Mass630.43
IUPAC Name8-chloro-7-methyl-3,4-dihydro-2H-chromene;5-chloro-6-methyl-1,2,3,4-tetrahydronaphthalene;1,2-dimethyl-4-propylbenzene;ethane
SMILESCC.CC.CC.CC.CCCc1ccc(C)c(C)c1.Cc1ccc2c(c1Cl)CCCC2.Cc1ccc2c(c1Cl)OCCC2
InChIInChI=1S/C11H13Cl.C11H16.C10H11ClO.4C2H6/c1-8-6-7-9-4-2-3-5-10(9)11(8)12;1-4-5-11-7-6-9(2)10(3)8-11;1-7-4-5-8-3-2-6-12-10(8)9(7)11;4*1-2/h6-7H,2-5H2,1H3;6-8H,4-5H2,1-3H3;4-5H,2-3,6H2,1H3;4*1-2H3
InChIKeyZSDPOFXKGFCQQE-UHFFFAOYSA-N
XLogP13.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.86
LogP ≤ 513.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-methyl-3,4-dihydro-2H-chromene;5-chloro-6-methyl-1,2,3,4-tetrahydronaphthalene;1,2-dimethyl-4-propylbenzene;ethane?
The IUPAC name of 8-chloro-7-methyl-3,4-dihydro-2H-chromene;5-chloro-6-methyl-1,2,3,4-tetrahydronaphthalene;1,2-dimethyl-4-propylbenzene;ethane (CID 143804569) is 8-chloro-7-methyl-3,4-dihydro-2H-chromene;5-chloro-6-methyl-1,2,3,4-tetrahydronaphthalene;1,2-dimethyl-4-propylbenzene;ethane.
What is the SMILES notation for 8-chloro-7-methyl-3,4-dihydro-2H-chromene;5-chloro-6-methyl-1,2,3,4-tetrahydronaphthalene;1,2-dimethyl-4-propylbenzene;ethane?
The canonical SMILES for 8-chloro-7-methyl-3,4-dihydro-2H-chromene;5-chloro-6-methyl-1,2,3,4-tetrahydronaphthalene;1,2-dimethyl-4-propylbenzene;ethane is CC.CC.CC.CC.CCCc1ccc(C)c(C)c1.Cc1ccc2c(c1Cl)CCCC2.Cc1ccc2c(c1Cl)OCCC2.
What is the InChIKey of 8-chloro-7-methyl-3,4-dihydro-2H-chromene;5-chloro-6-methyl-1,2,3,4-tetrahydronaphthalene;1,2-dimethyl-4-propylbenzene;ethane?
The InChIKey is ZSDPOFXKGFCQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl.C11H16.C10H11ClO.4C2H6/c1-8-6-7-9-4-2-3-5-10(9)11(8)12;1-4-5-11-7-6-9(2)10(3)8-11;1-7-4-5-8-3-2-6-12-10(8)9(7)11;4*1-2/h6-7H,2-5H2,1H3;6-8H,4-5H2,1-3H3;4-5H,2-3,6H2,1H3;4*1-2H3.
What are the key properties of 8-chloro-7-methyl-3,4-dihydro-2H-chromene;5-chloro-6-methyl-1,2,3,4-tetrahydronaphthalene;1,2-dimethyl-4-propylbenzene;ethane?
8-chloro-7-methyl-3,4-dihydro-2H-chromene;5-chloro-6-methyl-1,2,3,4-tetrahydronaphthalene;1,2-dimethyl-4-propylbenzene;ethane has a molecular weight of 631.86 g/mol, XLogP of 13.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-methyl-3,4-dihydro-2H-chromene;5-chloro-6-methyl-1,2,3,4-tetrahydronaphthalene;1,2-dimethyl-4-propylbenzene;ethane is sourced from PubChem (CID 143804569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).