6-(dimethylamino)-4-(4-hydroxyphenyl)-4-phenylheptan-3-one

C21H27NO2 — CID 3082532

IUPAC6-(dimethylamino)-4-(4-hydroxyphenyl)-4-phenylheptan-3-one
SMILESCCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C21H27NO2/c1-5-20(24)21(15-16(2)22(3)4,17-9-7-6-8-10-17)18-11-13-19(23)14-12-18/h6-14,16,23H,5,15H2,1-4H3
InChIKeyMNOLUSMZZLSOKM-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.00
Rot. Bonds7

About 6-(dimethylamino)-4-(4-hydroxyphenyl)-4-phenylheptan-3-one

6-(dimethylamino)-4-(4-hydroxyphenyl)-4-phenylheptan-3-one (PubChem CID 3082532) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 6-(dimethylamino)-4-(4-hydroxyphenyl)-4-phenylheptan-3-one.

Molecular Properties

Compound Name6-(dimethylamino)-4-(4-hydroxyphenyl)-4-phenylheptan-3-one
PubChem CID3082532
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name6-(dimethylamino)-4-(4-hydroxyphenyl)-4-phenylheptan-3-one
SMILESCCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C21H27NO2/c1-5-20(24)21(15-16(2)22(3)4,17-9-7-6-8-10-17)18-11-13-19(23)14-12-18/h6-14,16,23H,5,15H2,1-4H3
InChIKeyMNOLUSMZZLSOKM-UHFFFAOYSA-N
XLogP4.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-4-(4-hydroxyphenyl)-4-phenylheptan-3-one?
The IUPAC name of 6-(dimethylamino)-4-(4-hydroxyphenyl)-4-phenylheptan-3-one (CID 3082532) is 6-(dimethylamino)-4-(4-hydroxyphenyl)-4-phenylheptan-3-one.
What is the SMILES notation for 6-(dimethylamino)-4-(4-hydroxyphenyl)-4-phenylheptan-3-one?
The canonical SMILES for 6-(dimethylamino)-4-(4-hydroxyphenyl)-4-phenylheptan-3-one is CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of 6-(dimethylamino)-4-(4-hydroxyphenyl)-4-phenylheptan-3-one?
The InChIKey is MNOLUSMZZLSOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-5-20(24)21(15-16(2)22(3)4,17-9-7-6-8-10-17)18-11-13-19(23)14-12-18/h6-14,16,23H,5,15H2,1-4H3.
What are the key properties of 6-(dimethylamino)-4-(4-hydroxyphenyl)-4-phenylheptan-3-one?
6-(dimethylamino)-4-(4-hydroxyphenyl)-4-phenylheptan-3-one has a molecular weight of 325.45 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-4-(4-hydroxyphenyl)-4-phenylheptan-3-one is sourced from PubChem (CID 3082532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).