[4-[4-[4-[(9-oxofluoren-1-yl)oxymethyl]phenyl]phenoxy]phenyl] acetate

C34H24O5 — CID 69197131

IUPAC[4-[4-[4-[(9-oxofluoren-1-yl)oxymethyl]phenyl]phenoxy]phenyl] acetate
SMILESCC(=O)Oc1ccc(Oc2ccc(-c3ccc(COc4cccc5c4C(=O)c4ccccc4-5)cc3)cc2)cc1
InChIInChI=1S/C34H24O5/c1-22(35)38-26-17-19-28(20-18-26)39-27-15-13-25(14-16-27)24-11-9-23(10-12-24)21-37-32-8-4-7-30-29-5-2-3-6-31(29)34(36)33(30)32/h2-20H,21H2,1H3
InChIKeyOOKOBOGLRLGGNU-UHFFFAOYSA-N
MW512.56 g/mol
LogP7.86
Rot. Bonds7

About [4-[4-[4-[(9-oxofluoren-1-yl)oxymethyl]phenyl]phenoxy]phenyl] acetate

[4-[4-[4-[(9-oxofluoren-1-yl)oxymethyl]phenyl]phenoxy]phenyl] acetate (PubChem CID 69197131) has the molecular formula C34H24O5 and a molecular weight of 512.56 g/mol. Its IUPAC name is [4-[4-[4-[(9-oxofluoren-1-yl)oxymethyl]phenyl]phenoxy]phenyl] acetate.

Molecular Properties

Compound Name[4-[4-[4-[(9-oxofluoren-1-yl)oxymethyl]phenyl]phenoxy]phenyl] acetate
PubChem CID69197131
Molecular FormulaC34H24O5
Molecular Weight512.56 g/mol
Exact Mass512.16
IUPAC Name[4-[4-[4-[(9-oxofluoren-1-yl)oxymethyl]phenyl]phenoxy]phenyl] acetate
SMILESCC(=O)Oc1ccc(Oc2ccc(-c3ccc(COc4cccc5c4C(=O)c4ccccc4-5)cc3)cc2)cc1
InChIInChI=1S/C34H24O5/c1-22(35)38-26-17-19-28(20-18-26)39-27-15-13-25(14-16-27)24-11-9-23(10-12-24)21-37-32-8-4-7-30-29-5-2-3-6-31(29)34(36)33(30)32/h2-20H,21H2,1H3
InChIKeyOOKOBOGLRLGGNU-UHFFFAOYSA-N
XLogP7.86
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.56
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(1-acetyl-5-hydroxyanthracene-9,10-dione);1-acetyl-5-phenylmethoxyanthracene-9,10-dione
CID 160936105
2-(2-methylprop-2-enyl)-1,5-bis(phenylmethoxy)anthracene-9,10-dione
CID 56934567
(4-acetyloxy-9,10-dioxoanthracen-2-yl) acetate
CID 3754690
(3-methyl-4-phenylmethoxyphenyl) acetate
CID 129245175
(9-oxofluoren-1-yl)oxymethanethioic S-acid
CID 142695295
[4-[4-(3-phenylmethoxybutyl)phenyl]phenyl] acetate
CID 139657351
phenoxybenzene;phenyl acetate
CID 159251324
[4-[(4-methoxyphenyl)methoxy]-1,3-dioxoinden-2-yl] 2-methylpropanoate
CID 139638140
(4-phenylmethoxy-3-propan-2-ylphenyl) acetate
CID 19030080
1-(2-hydroxyethoxy)anthracene-9,10-dione
CID 67340699
[4-(phenoxycarbothioyloxymethyl)phenyl] acetate
CID 154606053
(3-methoxy-4-phenylmethoxyphenyl) acetate
CID 57146264

Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-[(9-oxofluoren-1-yl)oxymethyl]phenyl]phenoxy]phenyl] acetate?
The IUPAC name of [4-[4-[4-[(9-oxofluoren-1-yl)oxymethyl]phenyl]phenoxy]phenyl] acetate (CID 69197131) is [4-[4-[4-[(9-oxofluoren-1-yl)oxymethyl]phenyl]phenoxy]phenyl] acetate.
What is the SMILES notation for [4-[4-[4-[(9-oxofluoren-1-yl)oxymethyl]phenyl]phenoxy]phenyl] acetate?
The canonical SMILES for [4-[4-[4-[(9-oxofluoren-1-yl)oxymethyl]phenyl]phenoxy]phenyl] acetate is CC(=O)Oc1ccc(Oc2ccc(-c3ccc(COc4cccc5c4C(=O)c4ccccc4-5)cc3)cc2)cc1.
What is the InChIKey of [4-[4-[4-[(9-oxofluoren-1-yl)oxymethyl]phenyl]phenoxy]phenyl] acetate?
The InChIKey is OOKOBOGLRLGGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24O5/c1-22(35)38-26-17-19-28(20-18-26)39-27-15-13-25(14-16-27)24-11-9-23(10-12-24)21-37-32-8-4-7-30-29-5-2-3-6-31(29)34(36)33(30)32/h2-20H,21H2,1H3.
What are the key properties of [4-[4-[4-[(9-oxofluoren-1-yl)oxymethyl]phenyl]phenoxy]phenyl] acetate?
[4-[4-[4-[(9-oxofluoren-1-yl)oxymethyl]phenyl]phenoxy]phenyl] acetate has a molecular weight of 512.56 g/mol, XLogP of 7.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-[(9-oxofluoren-1-yl)oxymethyl]phenyl]phenoxy]phenyl] acetate is sourced from PubChem (CID 69197131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).