3-[4-(3-hydroxypropoxy)phenyl]imino-1-phenylpropan-1-one

C18H19NO3 — CID 123927854

IUPAC3-[4-(3-hydroxypropoxy)phenyl]imino-1-phenylpropan-1-one
SMILESO=C(C/C=N/c1ccc(OCCCO)cc1)c1ccccc1
InChIInChI=1S/C18H19NO3/c20-13-4-14-22-17-9-7-16(8-10-17)19-12-11-18(21)15-5-2-1-3-6-15/h1-3,5-10,12,20H,4,11,13-14H2/b19-12+
InChIKeyTVZXRGKTQSXEOL-XDHOZWIPSA-N
MW297.35 g/mol
LogP3.42
Rot. Bonds8

About 3-[4-(3-hydroxypropoxy)phenyl]imino-1-phenylpropan-1-one

3-[4-(3-hydroxypropoxy)phenyl]imino-1-phenylpropan-1-one (PubChem CID 123927854) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 3-[4-(3-hydroxypropoxy)phenyl]imino-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-[4-(3-hydroxypropoxy)phenyl]imino-1-phenylpropan-1-one
PubChem CID123927854
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name3-[4-(3-hydroxypropoxy)phenyl]imino-1-phenylpropan-1-one
SMILESO=C(C/C=N/c1ccc(OCCCO)cc1)c1ccccc1
InChIInChI=1S/C18H19NO3/c20-13-4-14-22-17-9-7-16(8-10-17)19-12-11-18(21)15-5-2-1-3-6-15/h1-3,5-10,12,20H,4,11,13-14H2/b19-12+
InChIKeyTVZXRGKTQSXEOL-XDHOZWIPSA-N
XLogP3.42
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-3-[4-(2-(18F)fluoroethoxy)phenyl]iminopropan-1-one
CID 123817992
4-[[3-(4-methoxyphenyl)-3-oxopropylidene]amino]benzoic acid
CID 7584169
methyl 4-[(3-oxo-3-phenylpropylidene)amino]benzoate
CID 91896741
3-[4-[1-[4-(3-hydroxypropoxy)phenyl]-2,2-diphenylethenyl]phenoxy]propan-1-ol
CID 177306952
4-(3-hydroxypropoxy)benzoic acid
CID 13423286
3-[2-(3-phenoxypropoxy)ethoxy]propan-1-ol
CID 23045273
4-(4-hydroxybutoxy)benzoic acid
CID 15218596
2-(4-phenacyloxyphenoxy)-1-phenylethanone
CID 962120
2-[4-(phenyliminomethyl)phenoxy]ethanol
CID 50742114
[4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone
CID 134886756
[4-[[4-(10-hydroxydecoxy)phenyl]iminomethyl]phenyl] 4-[[4-(10-hydroxydecoxy)phenyl]iminomethyl]benzoate
CID 101122145
1-[4-(3-phenoxypropoxy)phenyl]-2-piperidin-2-ylethanone
CID 22237356

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-hydroxypropoxy)phenyl]imino-1-phenylpropan-1-one?
The IUPAC name of 3-[4-(3-hydroxypropoxy)phenyl]imino-1-phenylpropan-1-one (CID 123927854) is 3-[4-(3-hydroxypropoxy)phenyl]imino-1-phenylpropan-1-one.
What is the SMILES notation for 3-[4-(3-hydroxypropoxy)phenyl]imino-1-phenylpropan-1-one?
The canonical SMILES for 3-[4-(3-hydroxypropoxy)phenyl]imino-1-phenylpropan-1-one is O=C(C/C=N/c1ccc(OCCCO)cc1)c1ccccc1.
What is the InChIKey of 3-[4-(3-hydroxypropoxy)phenyl]imino-1-phenylpropan-1-one?
The InChIKey is TVZXRGKTQSXEOL-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H19NO3/c20-13-4-14-22-17-9-7-16(8-10-17)19-12-11-18(21)15-5-2-1-3-6-15/h1-3,5-10,12,20H,4,11,13-14H2/b19-12+.
What are the key properties of 3-[4-(3-hydroxypropoxy)phenyl]imino-1-phenylpropan-1-one?
3-[4-(3-hydroxypropoxy)phenyl]imino-1-phenylpropan-1-one has a molecular weight of 297.35 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-hydroxypropoxy)phenyl]imino-1-phenylpropan-1-one is sourced from PubChem (CID 123927854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).