(2,3-diphenoxyphenyl)-(4-hydroxyphenyl)methanone

C25H18O4 — CID 22633824

IUPAC(2,3-diphenoxyphenyl)-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)c1cccc(Oc2ccccc2)c1Oc1ccccc1
InChIInChI=1S/C25H18O4/c26-19-16-14-18(15-17-19)24(27)22-12-7-13-23(28-20-8-3-1-4-9-20)25(22)29-21-10-5-2-6-11-21/h1-17,26H
InChIKeyKAWSPSXSCJKFFE-UHFFFAOYSA-N
MW382.42 g/mol
LogP6.21
Rot. Bonds6

About (2,3-diphenoxyphenyl)-(4-hydroxyphenyl)methanone

(2,3-diphenoxyphenyl)-(4-hydroxyphenyl)methanone (PubChem CID 22633824) has the molecular formula C25H18O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is (2,3-diphenoxyphenyl)-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(2,3-diphenoxyphenyl)-(4-hydroxyphenyl)methanone
PubChem CID22633824
Molecular FormulaC25H18O4
Molecular Weight382.42 g/mol
Exact Mass382.12
IUPAC Name(2,3-diphenoxyphenyl)-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)c1cccc(Oc2ccccc2)c1Oc1ccccc1
InChIInChI=1S/C25H18O4/c26-19-16-14-18(15-17-19)24(27)22-12-7-13-23(28-20-8-3-1-4-9-20)25(22)29-21-10-5-2-6-11-21/h1-17,26H
InChIKeyKAWSPSXSCJKFFE-UHFFFAOYSA-N
XLogP6.21
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.42
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-phenoxyphenyl)-phenylmethanone
CID 10802273
4-(2-benzoyl-6-hydroxyphenoxy)benzoic acid
CID 141069267
(3-methyl-2-phenoxyphenyl)-phenylmethanone
CID 154260379
bis[4-(2-phenoxyphenoxy)phenyl]methanone
CID 19849453
[3-amino-2-[4-(2-amino-6-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 19828743
[4-[2-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 175364335
4-(2-phenoxybenzoyl)benzenecarboximidamide
CID 71388814
3-[4-(3-amino-2-phenoxybenzoyl)phenoxy]benzoic acid
CID 19862065
[4-[4-[2-(4-aminophenoxy)benzoyl]phenoxy]phenyl]-[2-(4-aminophenoxy)phenyl]methanone
CID 70183152
3-hydroxy-2-phenoxybenzoic acid
CID 53406644
(4-hydroxyphenyl)-phenylmethanone;phenyl hydrogen carbonate
CID 118078754
(4-hydroxyphenyl)-phenylmethanone
CID 139062648

Frequently Asked Questions

What is the IUPAC name of (2,3-diphenoxyphenyl)-(4-hydroxyphenyl)methanone?
The IUPAC name of (2,3-diphenoxyphenyl)-(4-hydroxyphenyl)methanone (CID 22633824) is (2,3-diphenoxyphenyl)-(4-hydroxyphenyl)methanone.
What is the SMILES notation for (2,3-diphenoxyphenyl)-(4-hydroxyphenyl)methanone?
The canonical SMILES for (2,3-diphenoxyphenyl)-(4-hydroxyphenyl)methanone is O=C(c1ccc(O)cc1)c1cccc(Oc2ccccc2)c1Oc1ccccc1.
What is the InChIKey of (2,3-diphenoxyphenyl)-(4-hydroxyphenyl)methanone?
The InChIKey is KAWSPSXSCJKFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18O4/c26-19-16-14-18(15-17-19)24(27)22-12-7-13-23(28-20-8-3-1-4-9-20)25(22)29-21-10-5-2-6-11-21/h1-17,26H.
What are the key properties of (2,3-diphenoxyphenyl)-(4-hydroxyphenyl)methanone?
(2,3-diphenoxyphenyl)-(4-hydroxyphenyl)methanone has a molecular weight of 382.42 g/mol, XLogP of 6.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diphenoxyphenyl)-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 22633824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).