[4-[1-(diethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone

C20H25NO3 — CID 169225827

IUPAC[4-[1-(diethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone
SMILESCCN(CC)C(Oc1ccc(C(=O)c2ccccc2)cc1)C(C)O
InChIInChI=1S/C20H25NO3/c1-4-21(5-2)20(15(3)22)24-18-13-11-17(12-14-18)19(23)16-9-7-6-8-10-16/h6-15,20,22H,4-5H2,1-3H3
InChIKeyYKARIVZOYNPDNS-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.35
Rot. Bonds8

About [4-[1-(diethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone

[4-[1-(diethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone (PubChem CID 169225827) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is [4-[1-(diethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[1-(diethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone
PubChem CID169225827
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name[4-[1-(diethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone
SMILESCCN(CC)C(Oc1ccc(C(=O)c2ccccc2)cc1)C(C)O
InChIInChI=1S/C20H25NO3/c1-4-21(5-2)20(15(3)22)24-18-13-11-17(12-14-18)19(23)16-9-7-6-8-10-16/h6-15,20,22H,4-5H2,1-3H3
InChIKeyYKARIVZOYNPDNS-UHFFFAOYSA-N
XLogP3.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [4-[1-(diethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butane-2,3-diol;diphenylmethanone
CID 175235923
[4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]-phenylmethanone
CID 144654455
bis[4-[(2R)-butan-2-yl]oxyphenyl]methanone
CID 131860857
1-(4-benzoylphenoxy)-3-methylpentan-2-one
CID 71182680
ethane;[4-(2-ethylbutoxy)phenyl]-phenylmethanone
CID 143798927
(2R)-2-(4-benzoylphenoxy)-N-propan-2-ylpropanamide
CID 40747363
[1-(4-benzoylphenoxy)-2-hydroxypropyl] but-2-enoate
CID 174671749
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
2-[[2-(4-benzoylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide
CID 3577124
2-(4-benzoylphenoxy)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 24674832
(2S)-2-[[2-(4-benzoylphenoxy)acetyl]amino]-3-methylbutanoic acid
CID 119359613
[4-[1-(dimethylamino)ethoxy]phenyl]-(4-phenylmethoxyphenyl)methanone
CID 18988707

Frequently Asked Questions

What is the IUPAC name of [4-[1-(diethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone?
The IUPAC name of [4-[1-(diethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone (CID 169225827) is [4-[1-(diethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[1-(diethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone?
The canonical SMILES for [4-[1-(diethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone is CCN(CC)C(Oc1ccc(C(=O)c2ccccc2)cc1)C(C)O.
What is the InChIKey of [4-[1-(diethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone?
The InChIKey is YKARIVZOYNPDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-4-21(5-2)20(15(3)22)24-18-13-11-17(12-14-18)19(23)16-9-7-6-8-10-16/h6-15,20,22H,4-5H2,1-3H3.
What are the key properties of [4-[1-(diethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone?
[4-[1-(diethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone has a molecular weight of 327.42 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(diethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone is sourced from PubChem (CID 169225827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).