1-(2,4-dimethylphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzene

C19H24O — CID 122534307

IUPAC1-(2,4-dimethylphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzene
SMILESCOc1cc(C)c(C(C)C)cc1-c1ccc(C)cc1C
InChIInChI=1S/C19H24O/c1-12(2)17-11-18(19(20-6)10-15(17)5)16-8-7-13(3)9-14(16)4/h7-12H,1-6H3
InChIKeyATANRCRQMWGZKO-UHFFFAOYSA-N
MW268.40 g/mol
LogP5.41
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzene

1-(2,4-dimethylphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzene (PubChem CID 122534307) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzene
PubChem CID122534307
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name1-(2,4-dimethylphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzene
SMILESCOc1cc(C)c(C(C)C)cc1-c1ccc(C)cc1C
InChIInChI=1S/C19H24O/c1-12(2)17-11-18(19(20-6)10-15(17)5)16-8-7-13(3)9-14(16)4/h7-12H,1-6H3
InChIKeyATANRCRQMWGZKO-UHFFFAOYSA-N
XLogP5.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.40
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-5-methoxy-4-(4-methyl-2-propan-2-ylphenyl)-2-propan-2-ylbenzene
CID 158608160
2,4-dimethyl-1-(4-methyl-2-propan-2-ylphenyl)benzene
CID 18730157
1-(2,6-dimethoxyphenyl)-2,4-dimethyl-5-propan-2-ylbenzene
CID 102444217
1-(2,4-dimethyl-5-propan-2-ylphenyl)-2,4-dimethyl-5-propan-2-ylbenzene
CID 144517655
1-methoxy-2,4-dimethyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 169444379
4-methyl-1-(4-methyl-2-propan-2-ylphenyl)-2-propan-2-ylbenzene
CID 20697925
4-(2,4-dimethylphenyl)-3,5-di(propan-2-yl)phenol
CID 70463233
N-[(1S)-1-(2,4-dimethylphenyl)propyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100716496
2-[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]-4,5-dihydro-1,3-oxazole
CID 122534309
2-(4-fluoro-2-methylphenyl)-4-methyl-1-propan-2-ylbenzene
CID 123460717
5-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-1,2-oxazole
CID 116868925
9,9-bis(2,5-dimethyl-4-propan-2-ylphenyl)-2,7-dimethylfluorene
CID 160898108

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzene?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzene (CID 122534307) is 1-(2,4-dimethylphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzene.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzene?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzene is COc1cc(C)c(C(C)C)cc1-c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzene?
The InChIKey is ATANRCRQMWGZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O/c1-12(2)17-11-18(19(20-6)10-15(17)5)16-8-7-13(3)9-14(16)4/h7-12H,1-6H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzene?
1-(2,4-dimethylphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzene has a molecular weight of 268.40 g/mol, XLogP of 5.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzene is sourced from PubChem (CID 122534307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).