[5-benzoyl-2,4-dihydroxy-3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-phenylmethanone

C25H24O5 — CID 22461767

IUPAC[5-benzoyl-2,4-dihydroxy-3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-phenylmethanone
SMILESCC(C)(C)OCc1c(O)c(C(=O)c2ccccc2)cc(C(=O)c2ccccc2)c1O
InChIInChI=1S/C25H24O5/c1-25(2,3)30-15-20-23(28)18(21(26)16-10-6-4-7-11-16)14-19(24(20)29)22(27)17-12-8-5-9-13-17/h4-14,28-29H,15H2,1-3H3
InChIKeyQBNSCYBBNSFNNW-UHFFFAOYSA-N
MW404.46 g/mol
LogP4.87
Rot. Bonds6

About [5-benzoyl-2,4-dihydroxy-3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-phenylmethanone

[5-benzoyl-2,4-dihydroxy-3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-phenylmethanone (PubChem CID 22461767) has the molecular formula C25H24O5 and a molecular weight of 404.46 g/mol. Its IUPAC name is [5-benzoyl-2,4-dihydroxy-3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[5-benzoyl-2,4-dihydroxy-3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-phenylmethanone
PubChem CID22461767
Molecular FormulaC25H24O5
Molecular Weight404.46 g/mol
Exact Mass404.16
IUPAC Name[5-benzoyl-2,4-dihydroxy-3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-phenylmethanone
SMILESCC(C)(C)OCc1c(O)c(C(=O)c2ccccc2)cc(C(=O)c2ccccc2)c1O
InChIInChI=1S/C25H24O5/c1-25(2,3)30-15-20-23(28)18(21(26)16-10-6-4-7-11-16)14-19(24(20)29)22(27)17-12-8-5-9-13-17/h4-14,28-29H,15H2,1-3H3
InChIKeyQBNSCYBBNSFNNW-UHFFFAOYSA-N
XLogP4.87
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2,4-dihydroxy-3,5-dipropylphenyl)-phenylmethanone
CID 23109143
(3,5-dibutyl-2,4-dihydroxyphenyl)-phenylmethanone
CID 23109188
tert-butyl 2-(4-benzoyl-3-hydroxyphenoxy)acetate
CID 146550205
(3-ethyl-2-hydroxy-4-methoxyphenyl)-phenylmethanone
CID 18714090
2,2-dimethylpropane;diphenylmethanone
CID 159191976
(5-tert-butyl-2-hydroxyphenyl)-phenylmethanone
CID 517837
(Z)-4-[(3-benzoyl-2-hydroxy-6-methoxyphenyl)methoxy]-4-oxobut-2-enoic acid
CID 70541463
(2-hydroxy-4-methoxy-3-propylphenyl)-phenylmethanone
CID 86122742
(1,4-dihydroxynaphthalen-2-yl)-phenylmethanone
CID 11277063
4-[3-benzoyl-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]benzoic acid
CID 139838992
(2-benzoylphenyl)-phenylmethanone;carboxy hydrogen carbonate
CID 173358152
4-[(4-benzoyl-3-hydroxy-2-propylphenyl)methoxy]benzoic acid
CID 15682702

Frequently Asked Questions

What is the IUPAC name of [5-benzoyl-2,4-dihydroxy-3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-phenylmethanone?
The IUPAC name of [5-benzoyl-2,4-dihydroxy-3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-phenylmethanone (CID 22461767) is [5-benzoyl-2,4-dihydroxy-3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-phenylmethanone.
What is the SMILES notation for [5-benzoyl-2,4-dihydroxy-3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-phenylmethanone?
The canonical SMILES for [5-benzoyl-2,4-dihydroxy-3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-phenylmethanone is CC(C)(C)OCc1c(O)c(C(=O)c2ccccc2)cc(C(=O)c2ccccc2)c1O.
What is the InChIKey of [5-benzoyl-2,4-dihydroxy-3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-phenylmethanone?
The InChIKey is QBNSCYBBNSFNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O5/c1-25(2,3)30-15-20-23(28)18(21(26)16-10-6-4-7-11-16)14-19(24(20)29)22(27)17-12-8-5-9-13-17/h4-14,28-29H,15H2,1-3H3.
What are the key properties of [5-benzoyl-2,4-dihydroxy-3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-phenylmethanone?
[5-benzoyl-2,4-dihydroxy-3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-phenylmethanone has a molecular weight of 404.46 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-benzoyl-2,4-dihydroxy-3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-phenylmethanone is sourced from PubChem (CID 22461767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).