[2,4-dihydroxy-3-(propylamino)phenyl]-phenylmethanone

C16H17NO3 — CID 10084552

IUPAC[2,4-dihydroxy-3-(propylamino)phenyl]-phenylmethanone
SMILESCCCNc1c(O)ccc(C(=O)c2ccccc2)c1O
InChIInChI=1S/C16H17NO3/c1-2-10-17-14-13(18)9-8-12(16(14)20)15(19)11-6-4-3-5-7-11/h3-9,17-18,20H,2,10H2,1H3
InChIKeyWDPZUTAJFRYNHO-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.15
Rot. Bonds5

About [2,4-dihydroxy-3-(propylamino)phenyl]-phenylmethanone

[2,4-dihydroxy-3-(propylamino)phenyl]-phenylmethanone (PubChem CID 10084552) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is [2,4-dihydroxy-3-(propylamino)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2,4-dihydroxy-3-(propylamino)phenyl]-phenylmethanone
PubChem CID10084552
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name[2,4-dihydroxy-3-(propylamino)phenyl]-phenylmethanone
SMILESCCCNc1c(O)ccc(C(=O)c2ccccc2)c1O
InChIInChI=1S/C16H17NO3/c1-2-10-17-14-13(18)9-8-12(16(14)20)15(19)11-6-4-3-5-7-11/h3-9,17-18,20H,2,10H2,1H3
InChIKeyWDPZUTAJFRYNHO-UHFFFAOYSA-N
XLogP3.15
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze [2,4-dihydroxy-3-(propylamino)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

Frequently Asked Questions

What is the IUPAC name of [2,4-dihydroxy-3-(propylamino)phenyl]-phenylmethanone?
The IUPAC name of [2,4-dihydroxy-3-(propylamino)phenyl]-phenylmethanone (CID 10084552) is [2,4-dihydroxy-3-(propylamino)phenyl]-phenylmethanone.
What is the SMILES notation for [2,4-dihydroxy-3-(propylamino)phenyl]-phenylmethanone?
The canonical SMILES for [2,4-dihydroxy-3-(propylamino)phenyl]-phenylmethanone is CCCNc1c(O)ccc(C(=O)c2ccccc2)c1O.
What is the InChIKey of [2,4-dihydroxy-3-(propylamino)phenyl]-phenylmethanone?
The InChIKey is WDPZUTAJFRYNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-2-10-17-14-13(18)9-8-12(16(14)20)15(19)11-6-4-3-5-7-11/h3-9,17-18,20H,2,10H2,1H3.
What are the key properties of [2,4-dihydroxy-3-(propylamino)phenyl]-phenylmethanone?
[2,4-dihydroxy-3-(propylamino)phenyl]-phenylmethanone has a molecular weight of 271.32 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-dihydroxy-3-(propylamino)phenyl]-phenylmethanone is sourced from PubChem (CID 10084552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).