[2-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone

C20H25NO3 — CID 10381795

IUPAC[2-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone
SMILESCCN(CC)CC(O)COc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C20H25NO3/c1-3-21(4-2)14-17(22)15-24-19-13-9-8-12-18(19)20(23)16-10-6-5-7-11-16/h5-13,17,22H,3-4,14-15H2,1-2H3
InChIKeyGMNUWTLMPFWNMY-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.00
Rot. Bonds9

About [2-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone

[2-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone (PubChem CID 10381795) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is [2-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone
PubChem CID10381795
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name[2-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone
SMILESCCN(CC)CC(O)COc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C20H25NO3/c1-3-21(4-2)14-17(22)15-24-19-13-9-8-12-18(19)20(23)16-10-6-5-7-11-16/h5-13,17,22H,3-4,14-15H2,1-2H3
InChIKeyGMNUWTLMPFWNMY-UHFFFAOYSA-N
XLogP3.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone?
The IUPAC name of [2-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone (CID 10381795) is [2-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone.
What is the SMILES notation for [2-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone?
The canonical SMILES for [2-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone is CCN(CC)CC(O)COc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of [2-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone?
The InChIKey is GMNUWTLMPFWNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-3-21(4-2)14-17(22)15-24-19-13-9-8-12-18(19)20(23)16-10-6-5-7-11-16/h5-13,17,22H,3-4,14-15H2,1-2H3.
What are the key properties of [2-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone?
[2-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone has a molecular weight of 327.42 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone is sourced from PubChem (CID 10381795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).