[7-[(4-ethoxyphenoxy)methoxy]-9,9-dimethylfluoren-2-yl] 4-ethoxybenzoate

C33H32O6 — CID 59431462

IUPAC[7-[(4-ethoxyphenoxy)methoxy]-9,9-dimethylfluoren-2-yl] 4-ethoxybenzoate
SMILESCCOc1ccc(OCOc2ccc3c(c2)C(C)(C)c2cc(OC(=O)c4ccc(OCC)cc4)ccc2-3)cc1
InChIInChI=1S/C33H32O6/c1-5-35-23-9-7-22(8-10-23)32(34)39-27-16-18-29-28-17-15-26(19-30(28)33(3,4)31(29)20-27)38-21-37-25-13-11-24(12-14-25)36-6-2/h7-20H,5-6,21H2,1-4H3
InChIKeyUHWOKWFWWGOBMX-UHFFFAOYSA-N
MW524.61 g/mol
LogP7.42
Rot. Bonds10

About [7-[(4-ethoxyphenoxy)methoxy]-9,9-dimethylfluoren-2-yl] 4-ethoxybenzoate

[7-[(4-ethoxyphenoxy)methoxy]-9,9-dimethylfluoren-2-yl] 4-ethoxybenzoate (PubChem CID 59431462) has the molecular formula C33H32O6 and a molecular weight of 524.61 g/mol. Its IUPAC name is [7-[(4-ethoxyphenoxy)methoxy]-9,9-dimethylfluoren-2-yl] 4-ethoxybenzoate.

Molecular Properties

Compound Name[7-[(4-ethoxyphenoxy)methoxy]-9,9-dimethylfluoren-2-yl] 4-ethoxybenzoate
PubChem CID59431462
Molecular FormulaC33H32O6
Molecular Weight524.61 g/mol
Exact Mass524.22
IUPAC Name[7-[(4-ethoxyphenoxy)methoxy]-9,9-dimethylfluoren-2-yl] 4-ethoxybenzoate
SMILESCCOc1ccc(OCOc2ccc3c(c2)C(C)(C)c2cc(OC(=O)c4ccc(OCC)cc4)ccc2-3)cc1
InChIInChI=1S/C33H32O6/c1-5-35-23-9-7-22(8-10-23)32(34)39-27-16-18-29-28-17-15-26(19-30(28)33(3,4)31(29)20-27)38-21-37-25-13-11-24(12-14-25)36-6-2/h7-20H,5-6,21H2,1-4H3
InChIKeyUHWOKWFWWGOBMX-UHFFFAOYSA-N
XLogP7.42
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.61
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[7-[(4-ethylphenoxy)methoxy]-9,9-dimethylfluoren-2-yl] 4-ethylbenzoate
CID 58895420
[9,9-dimethyl-7-[4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoyl]oxyfluoren-2-yl] 4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoate
CID 121308051
[4-[3-[4-(4-ethoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-ethoxybenzoate
CID 143295267
(4-methoxyphenyl) 4-ethoxybenzoate
CID 23011327
(4-ethoxyphenyl) 4-carboxyoxybenzoate
CID 68508169
[4-(4-ethoxyphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate
CID 118151218
[9,9-dimethyl-7-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyfluoren-2-yl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;bis([9,9-dimethyl-7-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyfluoren-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate);methane;bis([9-methyl-7-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxy-9H-fluoren-2-yl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate);bis([9-methyl-7-[4-(prop-2-enoyloxymethoxy)benzoyl]oxy-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate)
CID 157368514
[7-[4-[4-[(3-ethyloxetan-3-yl)methoxy]butoxy]benzoyl]oxy-9,9-dimethylfluoren-2-yl] 4-cyanobenzoate
CID 89267574
[9-ethyl-7-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate
CID 21036156
[4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-ethoxybenzoate
CID 58003994
(4-propan-2-yloxycarbonylphenyl) 4-ethoxybenzoate
CID 17160880
(4-ethoxyphenyl) 4-methoxycarbonyloxybenzoate
CID 14534505

Frequently Asked Questions

What is the IUPAC name of [7-[(4-ethoxyphenoxy)methoxy]-9,9-dimethylfluoren-2-yl] 4-ethoxybenzoate?
The IUPAC name of [7-[(4-ethoxyphenoxy)methoxy]-9,9-dimethylfluoren-2-yl] 4-ethoxybenzoate (CID 59431462) is [7-[(4-ethoxyphenoxy)methoxy]-9,9-dimethylfluoren-2-yl] 4-ethoxybenzoate.
What is the SMILES notation for [7-[(4-ethoxyphenoxy)methoxy]-9,9-dimethylfluoren-2-yl] 4-ethoxybenzoate?
The canonical SMILES for [7-[(4-ethoxyphenoxy)methoxy]-9,9-dimethylfluoren-2-yl] 4-ethoxybenzoate is CCOc1ccc(OCOc2ccc3c(c2)C(C)(C)c2cc(OC(=O)c4ccc(OCC)cc4)ccc2-3)cc1.
What is the InChIKey of [7-[(4-ethoxyphenoxy)methoxy]-9,9-dimethylfluoren-2-yl] 4-ethoxybenzoate?
The InChIKey is UHWOKWFWWGOBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32O6/c1-5-35-23-9-7-22(8-10-23)32(34)39-27-16-18-29-28-17-15-26(19-30(28)33(3,4)31(29)20-27)38-21-37-25-13-11-24(12-14-25)36-6-2/h7-20H,5-6,21H2,1-4H3.
What are the key properties of [7-[(4-ethoxyphenoxy)methoxy]-9,9-dimethylfluoren-2-yl] 4-ethoxybenzoate?
[7-[(4-ethoxyphenoxy)methoxy]-9,9-dimethylfluoren-2-yl] 4-ethoxybenzoate has a molecular weight of 524.61 g/mol, XLogP of 7.42, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[(4-ethoxyphenoxy)methoxy]-9,9-dimethylfluoren-2-yl] 4-ethoxybenzoate is sourced from PubChem (CID 59431462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).