1-[2-hydroxy-4-(3-phenoxypropoxy)phenyl]-2-phenylethanone

C23H22O4 — CID 54179065

IUPAC1-[2-hydroxy-4-(3-phenoxypropoxy)phenyl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1ccc(OCCCOc2ccccc2)cc1O
InChIInChI=1S/C23H22O4/c24-22(16-18-8-3-1-4-9-18)21-13-12-20(17-23(21)25)27-15-7-14-26-19-10-5-2-6-11-19/h1-6,8-13,17,25H,7,14-16H2
InChIKeyPANFIOCGVMLXDO-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.67
Rot. Bonds9

About 1-[2-hydroxy-4-(3-phenoxypropoxy)phenyl]-2-phenylethanone

1-[2-hydroxy-4-(3-phenoxypropoxy)phenyl]-2-phenylethanone (PubChem CID 54179065) has the molecular formula C23H22O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-[2-hydroxy-4-(3-phenoxypropoxy)phenyl]-2-phenylethanone.

Molecular Properties

Compound Name1-[2-hydroxy-4-(3-phenoxypropoxy)phenyl]-2-phenylethanone
PubChem CID54179065
Molecular FormulaC23H22O4
Molecular Weight362.43 g/mol
Exact Mass362.15
IUPAC Name1-[2-hydroxy-4-(3-phenoxypropoxy)phenyl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1ccc(OCCCOc2ccccc2)cc1O
InChIInChI=1S/C23H22O4/c24-22(16-18-8-3-1-4-9-18)21-13-12-20(17-23(21)25)27-15-7-14-26-19-10-5-2-6-11-19/h1-6,8-13,17,25H,7,14-16H2
InChIKeyPANFIOCGVMLXDO-UHFFFAOYSA-N
XLogP4.67
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-hexoxy-2-hydroxyphenyl)-2-phenylethanone
CID 4534112
1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylethanone
CID 91871428
2-hydroxy-4-(8-phenoxyoctoxy)benzoic acid;zinc
CID 70268719
4-[3-(4-carboxy-3-hydroxyphenoxy)propoxy]-2-hydroxybenzoic acid
CID 71341364
[4-[4-(4-benzyl-3-hydroxyphenoxy)butoxy]-2-hydroxyphenyl]-phenylmethanone
CID 58175145
1-(2-hydroxy-4-methoxyphenyl)-2-phenoxyethanone
CID 12541853
1-[4-hydroxy-2-(2-phenylacetyl)phenyl]-2-phenylethanone
CID 59088943
1-[2-hydroxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2-phenylethanone
CID 7514105
[2-hydroxy-4-(3-hydroxypropoxy)phenyl]-phenylmethanone
CID 10945581
1-(2,4-dihydroxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 15126648
2-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-5-decoxyphenol
CID 135717091
2-[(E)-C-benzyl-N-hydroxycarbonimidoyl]-5-hexoxyphenol
CID 135699007

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-4-(3-phenoxypropoxy)phenyl]-2-phenylethanone?
The IUPAC name of 1-[2-hydroxy-4-(3-phenoxypropoxy)phenyl]-2-phenylethanone (CID 54179065) is 1-[2-hydroxy-4-(3-phenoxypropoxy)phenyl]-2-phenylethanone.
What is the SMILES notation for 1-[2-hydroxy-4-(3-phenoxypropoxy)phenyl]-2-phenylethanone?
The canonical SMILES for 1-[2-hydroxy-4-(3-phenoxypropoxy)phenyl]-2-phenylethanone is O=C(Cc1ccccc1)c1ccc(OCCCOc2ccccc2)cc1O.
What is the InChIKey of 1-[2-hydroxy-4-(3-phenoxypropoxy)phenyl]-2-phenylethanone?
The InChIKey is PANFIOCGVMLXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O4/c24-22(16-18-8-3-1-4-9-18)21-13-12-20(17-23(21)25)27-15-7-14-26-19-10-5-2-6-11-19/h1-6,8-13,17,25H,7,14-16H2.
What are the key properties of 1-[2-hydroxy-4-(3-phenoxypropoxy)phenyl]-2-phenylethanone?
1-[2-hydroxy-4-(3-phenoxypropoxy)phenyl]-2-phenylethanone has a molecular weight of 362.43 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-4-(3-phenoxypropoxy)phenyl]-2-phenylethanone is sourced from PubChem (CID 54179065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).