[4-[3-(4-benzoyl-3-hydroxyphenoxy)butan-2-yloxy]-2-hydroxyphenyl]-phenylmethanone

C30H26O6 — CID 158500330

IUPAC[4-[3-(4-benzoyl-3-hydroxyphenoxy)butan-2-yloxy]-2-hydroxyphenyl]-phenylmethanone
SMILESCC(Oc1ccc(C(=O)c2ccccc2)c(O)c1)C(C)Oc1ccc(C(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C30H26O6/c1-19(35-23-13-15-25(27(31)17-23)29(33)21-9-5-3-6-10-21)20(2)36-24-14-16-26(28(32)18-24)30(34)22-11-7-4-8-12-22/h3-20,31-32H,1-2H3
InChIKeyQUCAYWNVAJCVEF-UHFFFAOYSA-N
MW482.53 g/mol
LogP5.79
Rot. Bonds9

About [4-[3-(4-benzoyl-3-hydroxyphenoxy)butan-2-yloxy]-2-hydroxyphenyl]-phenylmethanone

[4-[3-(4-benzoyl-3-hydroxyphenoxy)butan-2-yloxy]-2-hydroxyphenyl]-phenylmethanone (PubChem CID 158500330) has the molecular formula C30H26O6 and a molecular weight of 482.53 g/mol. Its IUPAC name is [4-[3-(4-benzoyl-3-hydroxyphenoxy)butan-2-yloxy]-2-hydroxyphenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[3-(4-benzoyl-3-hydroxyphenoxy)butan-2-yloxy]-2-hydroxyphenyl]-phenylmethanone
PubChem CID158500330
Molecular FormulaC30H26O6
Molecular Weight482.53 g/mol
Exact Mass482.17
IUPAC Name[4-[3-(4-benzoyl-3-hydroxyphenoxy)butan-2-yloxy]-2-hydroxyphenyl]-phenylmethanone
SMILESCC(Oc1ccc(C(=O)c2ccccc2)c(O)c1)C(C)Oc1ccc(C(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C30H26O6/c1-19(35-23-13-15-25(27(31)17-23)29(33)21-9-5-3-6-10-21)20(2)36-24-14-16-26(28(32)18-24)30(34)22-11-7-4-8-12-22/h3-20,31-32H,1-2H3
InChIKeyQUCAYWNVAJCVEF-UHFFFAOYSA-N
XLogP5.79
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.53
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-[3-(4-benzoyl-3-hydroxyphenoxy)butan-2-yloxy]-2-hydroxyphenyl]-phenylmethanone with MolForge

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Related Compounds

CID 175499515
CID 175499515
CID 172864174
CID 172864174
(4-hydroperoxy-2-hydroxyphenyl)-phenylmethanone
CID 88685403
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone
CID 159601745
carbanide;(4-ethoxy-2-hydroxyphenyl)-phenylmethanone;yttrium
CID 158307427
formaldehyde;bis((2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone);bis((2-hydroxy-4-methoxyphenyl)-phenylmethanone)
CID 158936805
(2-hydroxy-4-methoxyphenyl)-(4-phenylphenyl)methanone
CID 13466519
(4-benzoyl-3-hydroxyphenyl) propaneperoxoate
CID 174643093
2-(3-benzoylphenyl)propanoic acid;(2-hydroxy-4-methoxyphenyl)-phenylmethanone
CID 118272160
[2-hydroxy-4-(3-hydroxypropoxy)phenyl]-phenylmethanone
CID 10945581
2-(4-benzoyl-3-hydroxyphenoxy)acetyl chloride
CID 19380030
CID 70366662
CID 70366662

Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-benzoyl-3-hydroxyphenoxy)butan-2-yloxy]-2-hydroxyphenyl]-phenylmethanone?
The IUPAC name of [4-[3-(4-benzoyl-3-hydroxyphenoxy)butan-2-yloxy]-2-hydroxyphenyl]-phenylmethanone (CID 158500330) is [4-[3-(4-benzoyl-3-hydroxyphenoxy)butan-2-yloxy]-2-hydroxyphenyl]-phenylmethanone.
What is the SMILES notation for [4-[3-(4-benzoyl-3-hydroxyphenoxy)butan-2-yloxy]-2-hydroxyphenyl]-phenylmethanone?
The canonical SMILES for [4-[3-(4-benzoyl-3-hydroxyphenoxy)butan-2-yloxy]-2-hydroxyphenyl]-phenylmethanone is CC(Oc1ccc(C(=O)c2ccccc2)c(O)c1)C(C)Oc1ccc(C(=O)c2ccccc2)c(O)c1.
What is the InChIKey of [4-[3-(4-benzoyl-3-hydroxyphenoxy)butan-2-yloxy]-2-hydroxyphenyl]-phenylmethanone?
The InChIKey is QUCAYWNVAJCVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O6/c1-19(35-23-13-15-25(27(31)17-23)29(33)21-9-5-3-6-10-21)20(2)36-24-14-16-26(28(32)18-24)30(34)22-11-7-4-8-12-22/h3-20,31-32H,1-2H3.
What are the key properties of [4-[3-(4-benzoyl-3-hydroxyphenoxy)butan-2-yloxy]-2-hydroxyphenyl]-phenylmethanone?
[4-[3-(4-benzoyl-3-hydroxyphenoxy)butan-2-yloxy]-2-hydroxyphenyl]-phenylmethanone has a molecular weight of 482.53 g/mol, XLogP of 5.79, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-benzoyl-3-hydroxyphenoxy)butan-2-yloxy]-2-hydroxyphenyl]-phenylmethanone is sourced from PubChem (CID 158500330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).