(E)-5-(dimethylamino)-1-(4-methoxyphenyl)-2,4-dimethyl-3-(2-phenylethyl)pent-1-en-3-ol

C24H33NO2 — CID 22643026

IUPAC(E)-5-(dimethylamino)-1-(4-methoxyphenyl)-2,4-dimethyl-3-(2-phenylethyl)pent-1-en-3-ol
SMILESCOc1ccc(/C=C(\C)C(O)(CCc2ccccc2)C(C)CN(C)C)cc1
InChIInChI=1S/C24H33NO2/c1-19(17-22-11-13-23(27-5)14-12-22)24(26,20(2)18-25(3)4)16-15-21-9-7-6-8-10-21/h6-14,17,20,26H,15-16,18H2,1-5H3/b19-17+
InChIKeyFOERQUUFXVEHJN-HTXNQAPBSA-N
MW367.53 g/mol
LogP4.66
Rot. Bonds9

About (E)-5-(dimethylamino)-1-(4-methoxyphenyl)-2,4-dimethyl-3-(2-phenylethyl)pent-1-en-3-ol

(E)-5-(dimethylamino)-1-(4-methoxyphenyl)-2,4-dimethyl-3-(2-phenylethyl)pent-1-en-3-ol (PubChem CID 22643026) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is (E)-5-(dimethylamino)-1-(4-methoxyphenyl)-2,4-dimethyl-3-(2-phenylethyl)pent-1-en-3-ol.

Molecular Properties

Compound Name(E)-5-(dimethylamino)-1-(4-methoxyphenyl)-2,4-dimethyl-3-(2-phenylethyl)pent-1-en-3-ol
PubChem CID22643026
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name(E)-5-(dimethylamino)-1-(4-methoxyphenyl)-2,4-dimethyl-3-(2-phenylethyl)pent-1-en-3-ol
SMILESCOc1ccc(/C=C(\C)C(O)(CCc2ccccc2)C(C)CN(C)C)cc1
InChIInChI=1S/C24H33NO2/c1-19(17-22-11-13-23(27-5)14-12-22)24(26,20(2)18-25(3)4)16-15-21-9-7-6-8-10-21/h6-14,17,20,26H,15-16,18H2,1-5H3/b19-17+
InChIKeyFOERQUUFXVEHJN-HTXNQAPBSA-N
XLogP4.66
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.53
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-5-(dimethylamino)-1-(4-methoxyphenyl)-2,4-dimethyl-3-(2-phenylethyl)pent-1-en-3-ol?
The IUPAC name of (E)-5-(dimethylamino)-1-(4-methoxyphenyl)-2,4-dimethyl-3-(2-phenylethyl)pent-1-en-3-ol (CID 22643026) is (E)-5-(dimethylamino)-1-(4-methoxyphenyl)-2,4-dimethyl-3-(2-phenylethyl)pent-1-en-3-ol.
What is the SMILES notation for (E)-5-(dimethylamino)-1-(4-methoxyphenyl)-2,4-dimethyl-3-(2-phenylethyl)pent-1-en-3-ol?
The canonical SMILES for (E)-5-(dimethylamino)-1-(4-methoxyphenyl)-2,4-dimethyl-3-(2-phenylethyl)pent-1-en-3-ol is COc1ccc(/C=C(\C)C(O)(CCc2ccccc2)C(C)CN(C)C)cc1.
What is the InChIKey of (E)-5-(dimethylamino)-1-(4-methoxyphenyl)-2,4-dimethyl-3-(2-phenylethyl)pent-1-en-3-ol?
The InChIKey is FOERQUUFXVEHJN-HTXNQAPBSA-N. The full InChI is InChI=1S/C24H33NO2/c1-19(17-22-11-13-23(27-5)14-12-22)24(26,20(2)18-25(3)4)16-15-21-9-7-6-8-10-21/h6-14,17,20,26H,15-16,18H2,1-5H3/b19-17+.
What are the key properties of (E)-5-(dimethylamino)-1-(4-methoxyphenyl)-2,4-dimethyl-3-(2-phenylethyl)pent-1-en-3-ol?
(E)-5-(dimethylamino)-1-(4-methoxyphenyl)-2,4-dimethyl-3-(2-phenylethyl)pent-1-en-3-ol has a molecular weight of 367.53 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(dimethylamino)-1-(4-methoxyphenyl)-2,4-dimethyl-3-(2-phenylethyl)pent-1-en-3-ol is sourced from PubChem (CID 22643026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).