2-[3,5-dimethyl-4-(2-methylnaphthalen-1-yl)phenyl]-2-methyl-1,3-dioxolane

C23H24O2 — CID 11313574

IUPAC2-[3,5-dimethyl-4-(2-methylnaphthalen-1-yl)phenyl]-2-methyl-1,3-dioxolane
SMILESCc1cc(C2(C)OCCO2)cc(C)c1-c1c(C)ccc2ccccc12
InChIInChI=1S/C23H24O2/c1-15-9-10-18-7-5-6-8-20(18)22(15)21-16(2)13-19(14-17(21)3)23(4)24-11-12-25-23/h5-10,13-14H,11-12H2,1-4H3
InChIKeyBKBSNWSHSZXXIU-UHFFFAOYSA-N
MW332.44 g/mol
LogP5.65
Rot. Bonds2

About 2-[3,5-dimethyl-4-(2-methylnaphthalen-1-yl)phenyl]-2-methyl-1,3-dioxolane

2-[3,5-dimethyl-4-(2-methylnaphthalen-1-yl)phenyl]-2-methyl-1,3-dioxolane (PubChem CID 11313574) has the molecular formula C23H24O2 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-(2-methylnaphthalen-1-yl)phenyl]-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-(2-methylnaphthalen-1-yl)phenyl]-2-methyl-1,3-dioxolane
PubChem CID11313574
Molecular FormulaC23H24O2
Molecular Weight332.44 g/mol
Exact Mass332.18
IUPAC Name2-[3,5-dimethyl-4-(2-methylnaphthalen-1-yl)phenyl]-2-methyl-1,3-dioxolane
SMILESCc1cc(C2(C)OCCO2)cc(C)c1-c1c(C)ccc2ccccc12
InChIInChI=1S/C23H24O2/c1-15-9-10-18-7-5-6-8-20(18)22(15)21-16(2)13-19(14-17(21)3)23(4)24-11-12-25-23/h5-10,13-14H,11-12H2,1-4H3
InChIKeyBKBSNWSHSZXXIU-UHFFFAOYSA-N
XLogP5.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.44
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-(2-methylnaphthalen-1-yl)phenyl]-2-methyl-1,3-dioxolane?
The IUPAC name of 2-[3,5-dimethyl-4-(2-methylnaphthalen-1-yl)phenyl]-2-methyl-1,3-dioxolane (CID 11313574) is 2-[3,5-dimethyl-4-(2-methylnaphthalen-1-yl)phenyl]-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-[3,5-dimethyl-4-(2-methylnaphthalen-1-yl)phenyl]-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-[3,5-dimethyl-4-(2-methylnaphthalen-1-yl)phenyl]-2-methyl-1,3-dioxolane is Cc1cc(C2(C)OCCO2)cc(C)c1-c1c(C)ccc2ccccc12.
What is the InChIKey of 2-[3,5-dimethyl-4-(2-methylnaphthalen-1-yl)phenyl]-2-methyl-1,3-dioxolane?
The InChIKey is BKBSNWSHSZXXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O2/c1-15-9-10-18-7-5-6-8-20(18)22(15)21-16(2)13-19(14-17(21)3)23(4)24-11-12-25-23/h5-10,13-14H,11-12H2,1-4H3.
What are the key properties of 2-[3,5-dimethyl-4-(2-methylnaphthalen-1-yl)phenyl]-2-methyl-1,3-dioxolane?
2-[3,5-dimethyl-4-(2-methylnaphthalen-1-yl)phenyl]-2-methyl-1,3-dioxolane has a molecular weight of 332.44 g/mol, XLogP of 5.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-(2-methylnaphthalen-1-yl)phenyl]-2-methyl-1,3-dioxolane is sourced from PubChem (CID 11313574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).