3-[6-(dimethylamino)-3-hydroxy-2,4-dimethyl-1-phenylhex-1-en-3-yl]phenol

C22H29NO2 — CID 69339880

IUPAC3-[6-(dimethylamino)-3-hydroxy-2,4-dimethyl-1-phenylhex-1-en-3-yl]phenol
SMILESCC(=Cc1ccccc1)C(O)(c1cccc(O)c1)C(C)CCN(C)C
InChIInChI=1S/C22H29NO2/c1-17(13-14-23(3)4)22(25,20-11-8-12-21(24)16-20)18(2)15-19-9-6-5-7-10-19/h5-12,15-17,24-25H,13-14H2,1-4H3
InChIKeyMNLICNVMKXCLRF-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.27
Rot. Bonds7

About 3-[6-(dimethylamino)-3-hydroxy-2,4-dimethyl-1-phenylhex-1-en-3-yl]phenol

3-[6-(dimethylamino)-3-hydroxy-2,4-dimethyl-1-phenylhex-1-en-3-yl]phenol (PubChem CID 69339880) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 3-[6-(dimethylamino)-3-hydroxy-2,4-dimethyl-1-phenylhex-1-en-3-yl]phenol.

Molecular Properties

Compound Name3-[6-(dimethylamino)-3-hydroxy-2,4-dimethyl-1-phenylhex-1-en-3-yl]phenol
PubChem CID69339880
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name3-[6-(dimethylamino)-3-hydroxy-2,4-dimethyl-1-phenylhex-1-en-3-yl]phenol
SMILESCC(=Cc1ccccc1)C(O)(c1cccc(O)c1)C(C)CCN(C)C
InChIInChI=1S/C22H29NO2/c1-17(13-14-23(3)4)22(25,20-11-8-12-21(24)16-20)18(2)15-19-9-6-5-7-10-19/h5-12,15-17,24-25H,13-14H2,1-4H3
InChIKeyMNLICNVMKXCLRF-UHFFFAOYSA-N
XLogP4.27
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(dimethylamino)-3-hydroxy-2,4-dimethyl-1-phenylhex-1-en-3-yl]phenol?
The IUPAC name of 3-[6-(dimethylamino)-3-hydroxy-2,4-dimethyl-1-phenylhex-1-en-3-yl]phenol (CID 69339880) is 3-[6-(dimethylamino)-3-hydroxy-2,4-dimethyl-1-phenylhex-1-en-3-yl]phenol.
What is the SMILES notation for 3-[6-(dimethylamino)-3-hydroxy-2,4-dimethyl-1-phenylhex-1-en-3-yl]phenol?
The canonical SMILES for 3-[6-(dimethylamino)-3-hydroxy-2,4-dimethyl-1-phenylhex-1-en-3-yl]phenol is CC(=Cc1ccccc1)C(O)(c1cccc(O)c1)C(C)CCN(C)C.
What is the InChIKey of 3-[6-(dimethylamino)-3-hydroxy-2,4-dimethyl-1-phenylhex-1-en-3-yl]phenol?
The InChIKey is MNLICNVMKXCLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-17(13-14-23(3)4)22(25,20-11-8-12-21(24)16-20)18(2)15-19-9-6-5-7-10-19/h5-12,15-17,24-25H,13-14H2,1-4H3.
What are the key properties of 3-[6-(dimethylamino)-3-hydroxy-2,4-dimethyl-1-phenylhex-1-en-3-yl]phenol?
3-[6-(dimethylamino)-3-hydroxy-2,4-dimethyl-1-phenylhex-1-en-3-yl]phenol has a molecular weight of 339.48 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(dimethylamino)-3-hydroxy-2,4-dimethyl-1-phenylhex-1-en-3-yl]phenol is sourced from PubChem (CID 69339880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).