[4-(diethylamino)-2-hydroxyphenyl]-phenylmethanone

C17H19NO2 — CID 12068463

IUPAC[4-(diethylamino)-2-hydroxyphenyl]-phenylmethanone
SMILESCCN(CC)c1ccc(C(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C17H19NO2/c1-3-18(4-2)14-10-11-15(16(19)12-14)17(20)13-8-6-5-7-9-13/h5-12,19H,3-4H2,1-2H3
InChIKeyOTDIGPPFZGQZFV-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.47
Rot. Bonds5

About [4-(diethylamino)-2-hydroxyphenyl]-phenylmethanone

[4-(diethylamino)-2-hydroxyphenyl]-phenylmethanone (PubChem CID 12068463) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is [4-(diethylamino)-2-hydroxyphenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-(diethylamino)-2-hydroxyphenyl]-phenylmethanone
PubChem CID12068463
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name[4-(diethylamino)-2-hydroxyphenyl]-phenylmethanone
SMILESCCN(CC)c1ccc(C(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C17H19NO2/c1-3-18(4-2)14-10-11-15(16(19)12-14)17(20)13-8-6-5-7-9-13/h5-12,19H,3-4H2,1-2H3
InChIKeyOTDIGPPFZGQZFV-UHFFFAOYSA-N
XLogP3.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(diethylamino)-2-hydroxyphenyl]-phenylmethanone?
The IUPAC name of [4-(diethylamino)-2-hydroxyphenyl]-phenylmethanone (CID 12068463) is [4-(diethylamino)-2-hydroxyphenyl]-phenylmethanone.
What is the SMILES notation for [4-(diethylamino)-2-hydroxyphenyl]-phenylmethanone?
The canonical SMILES for [4-(diethylamino)-2-hydroxyphenyl]-phenylmethanone is CCN(CC)c1ccc(C(=O)c2ccccc2)c(O)c1.
What is the InChIKey of [4-(diethylamino)-2-hydroxyphenyl]-phenylmethanone?
The InChIKey is OTDIGPPFZGQZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-3-18(4-2)14-10-11-15(16(19)12-14)17(20)13-8-6-5-7-9-13/h5-12,19H,3-4H2,1-2H3.
What are the key properties of [4-(diethylamino)-2-hydroxyphenyl]-phenylmethanone?
[4-(diethylamino)-2-hydroxyphenyl]-phenylmethanone has a molecular weight of 269.34 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylamino)-2-hydroxyphenyl]-phenylmethanone is sourced from PubChem (CID 12068463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).