1,3-dimethyl-2-(3-methyl-2-propan-2-yloxyphenyl)benzene

C18H22O — CID 68758532

IUPAC1,3-dimethyl-2-(3-methyl-2-propan-2-yloxyphenyl)benzene
SMILESCc1cccc(-c2c(C)cccc2C)c1OC(C)C
InChIInChI=1S/C18H22O/c1-12(2)19-18-15(5)10-7-11-16(18)17-13(3)8-6-9-14(17)4/h6-12H,1-5H3
InChIKeyLUEISZWANSSLMV-UHFFFAOYSA-N
MW254.37 g/mol
LogP5.07
Rot. Bonds3

About 1,3-dimethyl-2-(3-methyl-2-propan-2-yloxyphenyl)benzene

1,3-dimethyl-2-(3-methyl-2-propan-2-yloxyphenyl)benzene (PubChem CID 68758532) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 1,3-dimethyl-2-(3-methyl-2-propan-2-yloxyphenyl)benzene.

Molecular Properties

Compound Name1,3-dimethyl-2-(3-methyl-2-propan-2-yloxyphenyl)benzene
PubChem CID68758532
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name1,3-dimethyl-2-(3-methyl-2-propan-2-yloxyphenyl)benzene
SMILESCc1cccc(-c2c(C)cccc2C)c1OC(C)C
InChIInChI=1S/C18H22O/c1-12(2)19-18-15(5)10-7-11-16(18)17-13(3)8-6-9-14(17)4/h6-12H,1-5H3
InChIKeyLUEISZWANSSLMV-UHFFFAOYSA-N
XLogP5.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.37
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-(3-methyl-2-propan-2-yloxyphenyl)benzene?
The IUPAC name of 1,3-dimethyl-2-(3-methyl-2-propan-2-yloxyphenyl)benzene (CID 68758532) is 1,3-dimethyl-2-(3-methyl-2-propan-2-yloxyphenyl)benzene.
What is the SMILES notation for 1,3-dimethyl-2-(3-methyl-2-propan-2-yloxyphenyl)benzene?
The canonical SMILES for 1,3-dimethyl-2-(3-methyl-2-propan-2-yloxyphenyl)benzene is Cc1cccc(-c2c(C)cccc2C)c1OC(C)C.
What is the InChIKey of 1,3-dimethyl-2-(3-methyl-2-propan-2-yloxyphenyl)benzene?
The InChIKey is LUEISZWANSSLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-12(2)19-18-15(5)10-7-11-16(18)17-13(3)8-6-9-14(17)4/h6-12H,1-5H3.
What are the key properties of 1,3-dimethyl-2-(3-methyl-2-propan-2-yloxyphenyl)benzene?
1,3-dimethyl-2-(3-methyl-2-propan-2-yloxyphenyl)benzene has a molecular weight of 254.37 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-(3-methyl-2-propan-2-yloxyphenyl)benzene is sourced from PubChem (CID 68758532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).