[4-tert-butyl-2-[3-(dimethylamino)phenyl]-6-propan-2-ylphenyl]methanol

C22H31NO — CID 57395754

IUPAC[4-tert-butyl-2-[3-(dimethylamino)phenyl]-6-propan-2-ylphenyl]methanol
SMILESCC(C)c1cc(C(C)(C)C)cc(-c2cccc(N(C)C)c2)c1CO
InChIInChI=1S/C22H31NO/c1-15(2)19-12-17(22(3,4)5)13-20(21(19)14-24)16-9-8-10-18(11-16)23(6)7/h8-13,15,24H,14H2,1-7H3
InChIKeyGERNXALRDMYNPZ-UHFFFAOYSA-N
MW325.50 g/mol
LogP5.33
Rot. Bonds4

About [4-tert-butyl-2-[3-(dimethylamino)phenyl]-6-propan-2-ylphenyl]methanol

[4-tert-butyl-2-[3-(dimethylamino)phenyl]-6-propan-2-ylphenyl]methanol (PubChem CID 57395754) has the molecular formula C22H31NO and a molecular weight of 325.50 g/mol. Its IUPAC name is [4-tert-butyl-2-[3-(dimethylamino)phenyl]-6-propan-2-ylphenyl]methanol.

Molecular Properties

Compound Name[4-tert-butyl-2-[3-(dimethylamino)phenyl]-6-propan-2-ylphenyl]methanol
PubChem CID57395754
Molecular FormulaC22H31NO
Molecular Weight325.50 g/mol
Exact Mass325.24
IUPAC Name[4-tert-butyl-2-[3-(dimethylamino)phenyl]-6-propan-2-ylphenyl]methanol
SMILESCC(C)c1cc(C(C)(C)C)cc(-c2cccc(N(C)C)c2)c1CO
InChIInChI=1S/C22H31NO/c1-15(2)19-12-17(22(3,4)5)13-20(21(19)14-24)16-9-8-10-18(11-16)23(6)7/h8-13,15,24H,14H2,1-7H3
InChIKeyGERNXALRDMYNPZ-UHFFFAOYSA-N
XLogP5.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.50
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-[3-(dimethylamino)phenyl]-6-propan-2-ylphenyl]methanol?
The IUPAC name of [4-tert-butyl-2-[3-(dimethylamino)phenyl]-6-propan-2-ylphenyl]methanol (CID 57395754) is [4-tert-butyl-2-[3-(dimethylamino)phenyl]-6-propan-2-ylphenyl]methanol.
What is the SMILES notation for [4-tert-butyl-2-[3-(dimethylamino)phenyl]-6-propan-2-ylphenyl]methanol?
The canonical SMILES for [4-tert-butyl-2-[3-(dimethylamino)phenyl]-6-propan-2-ylphenyl]methanol is CC(C)c1cc(C(C)(C)C)cc(-c2cccc(N(C)C)c2)c1CO.
What is the InChIKey of [4-tert-butyl-2-[3-(dimethylamino)phenyl]-6-propan-2-ylphenyl]methanol?
The InChIKey is GERNXALRDMYNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO/c1-15(2)19-12-17(22(3,4)5)13-20(21(19)14-24)16-9-8-10-18(11-16)23(6)7/h8-13,15,24H,14H2,1-7H3.
What are the key properties of [4-tert-butyl-2-[3-(dimethylamino)phenyl]-6-propan-2-ylphenyl]methanol?
[4-tert-butyl-2-[3-(dimethylamino)phenyl]-6-propan-2-ylphenyl]methanol has a molecular weight of 325.50 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-[3-(dimethylamino)phenyl]-6-propan-2-ylphenyl]methanol is sourced from PubChem (CID 57395754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).