4-(dimethylamino)-3-methyl-2-phenyl-6-propylphenol

C18H23NO — CID 135003920

IUPAC4-(dimethylamino)-3-methyl-2-phenyl-6-propylphenol
SMILESCCCc1cc(N(C)C)c(C)c(-c2ccccc2)c1O
InChIInChI=1S/C18H23NO/c1-5-9-15-12-16(19(3)4)13(2)17(18(15)20)14-10-7-6-8-11-14/h6-8,10-12,20H,5,9H2,1-4H3
InChIKeyTWFQDQBYJIXLIL-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.39
Rot. Bonds4

About 4-(dimethylamino)-3-methyl-2-phenyl-6-propylphenol

4-(dimethylamino)-3-methyl-2-phenyl-6-propylphenol (PubChem CID 135003920) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-(dimethylamino)-3-methyl-2-phenyl-6-propylphenol.

Molecular Properties

Compound Name4-(dimethylamino)-3-methyl-2-phenyl-6-propylphenol
PubChem CID135003920
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name4-(dimethylamino)-3-methyl-2-phenyl-6-propylphenol
SMILESCCCc1cc(N(C)C)c(C)c(-c2ccccc2)c1O
InChIInChI=1S/C18H23NO/c1-5-9-15-12-16(19(3)4)13(2)17(18(15)20)14-10-7-6-8-11-14/h6-8,10-12,20H,5,9H2,1-4H3
InChIKeyTWFQDQBYJIXLIL-UHFFFAOYSA-N
XLogP4.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-2,6-dipropylphenol
CID 66879307
2-phenyl-1,3,5-tripropylbenzene
CID 91174687
2-butyl-6-(dimethylamino)-4-methylphenol
CID 67848119
5-methyl-6-phenylbenzene-1,2,4-triol
CID 101299657
3-phenyl-2-(2-phenylpropan-2-yl)-4-propylphenol
CID 66865698
2-ethyl-4-methyl-6-propylphenol
CID 66879780
5-ethyl-4-hydroxy-3-methyl-2-phenylbenzoic acid
CID 175195543
2-phenyl-3-propylbenzene-1,4-diol
CID 118690325
2,5-diethyl-3-phenylbenzene-1,4-diol
CID 101302575
1-hexyl-3-methyl-4-pentyl-2-phenylbenzene
CID 173075970
1,3-di(butan-2-yl)-2-methyl-4-phenyl-5-propylbenzene
CID 123827327
1-butan-2-yl-4-methyl-2-phenyl-3,5-dipropylbenzene
CID 123655158

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-3-methyl-2-phenyl-6-propylphenol?
The IUPAC name of 4-(dimethylamino)-3-methyl-2-phenyl-6-propylphenol (CID 135003920) is 4-(dimethylamino)-3-methyl-2-phenyl-6-propylphenol.
What is the SMILES notation for 4-(dimethylamino)-3-methyl-2-phenyl-6-propylphenol?
The canonical SMILES for 4-(dimethylamino)-3-methyl-2-phenyl-6-propylphenol is CCCc1cc(N(C)C)c(C)c(-c2ccccc2)c1O.
What is the InChIKey of 4-(dimethylamino)-3-methyl-2-phenyl-6-propylphenol?
The InChIKey is TWFQDQBYJIXLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-5-9-15-12-16(19(3)4)13(2)17(18(15)20)14-10-7-6-8-11-14/h6-8,10-12,20H,5,9H2,1-4H3.
What are the key properties of 4-(dimethylamino)-3-methyl-2-phenyl-6-propylphenol?
4-(dimethylamino)-3-methyl-2-phenyl-6-propylphenol has a molecular weight of 269.39 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-3-methyl-2-phenyl-6-propylphenol is sourced from PubChem (CID 135003920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).