ethyl 2-[2-[4-(3-hydroxyphenoxy)butoxy]-9H-fluoren-9-yl]acetate

C27H28O5 — CID 91051200

IUPACethyl 2-[2-[4-(3-hydroxyphenoxy)butoxy]-9H-fluoren-9-yl]acetate
SMILESCCOC(=O)CC1c2ccccc2-c2ccc(OCCCCOc3cccc(O)c3)cc21
InChIInChI=1S/C27H28O5/c1-2-30-27(29)18-26-23-11-4-3-10-22(23)24-13-12-21(17-25(24)26)32-15-6-5-14-31-20-9-7-8-19(28)16-20/h3-4,7-13,16-17,26,28H,2,5-6,14-15,18H2,1H3
InChIKeyZUYVYQLPJVODJC-UHFFFAOYSA-N
MW432.52 g/mol
LogP5.70
Rot. Bonds10

About ethyl 2-[2-[4-(3-hydroxyphenoxy)butoxy]-9H-fluoren-9-yl]acetate

ethyl 2-[2-[4-(3-hydroxyphenoxy)butoxy]-9H-fluoren-9-yl]acetate (PubChem CID 91051200) has the molecular formula C27H28O5 and a molecular weight of 432.52 g/mol. Its IUPAC name is ethyl 2-[2-[4-(3-hydroxyphenoxy)butoxy]-9H-fluoren-9-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[4-(3-hydroxyphenoxy)butoxy]-9H-fluoren-9-yl]acetate
PubChem CID91051200
Molecular FormulaC27H28O5
Molecular Weight432.52 g/mol
Exact Mass432.19
IUPAC Nameethyl 2-[2-[4-(3-hydroxyphenoxy)butoxy]-9H-fluoren-9-yl]acetate
SMILESCCOC(=O)CC1c2ccccc2-c2ccc(OCCCCOc3cccc(O)c3)cc21
InChIInChI=1S/C27H28O5/c1-2-30-27(29)18-26-23-11-4-3-10-22(23)24-13-12-21(17-25(24)26)32-15-6-5-14-31-20-9-7-8-19(28)16-20/h3-4,7-13,16-17,26,28H,2,5-6,14-15,18H2,1H3
InChIKeyZUYVYQLPJVODJC-UHFFFAOYSA-N
XLogP5.70
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-[2-[4-(3-hydroxyphenoxy)butoxy]-9H-fluoren-9-yl]acetate with MolForge

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Related Compounds

Enrasentan
CID 178103
2-[(1S)-5-[3-(4-phenoxy-2-propylphenoxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 10004438
2-[(1S)-5-{3-[2-propyl-4-(trifluoromethyl)phenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 10455681
2-[(1S)-5-(3-phenoxypropoxy)-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 16110418
2-[(1S)-5-{3-[4-(trifluoromethyl)phenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 16110419
2-[(1S)-5-[3-(4-methoxyphenoxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 16110420
2-[(1S)-5-[3-(4-ethoxyphenoxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 16110421
2-[(1S)-5-[3-(4-phenylphenoxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 16110422
2-[(1S)-5-[3-(3,4-dimethylphenoxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 16110423
2-[(1S)-5-[3-(2,4-dimethylphenoxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 16110424
2-[(1S)-5-[3-(2-methoxy-4-methylphenoxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 16110426
2-[(1S)-5-[3-(4-ethylphenoxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 16110511

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[4-(3-hydroxyphenoxy)butoxy]-9H-fluoren-9-yl]acetate?
The IUPAC name of ethyl 2-[2-[4-(3-hydroxyphenoxy)butoxy]-9H-fluoren-9-yl]acetate (CID 91051200) is ethyl 2-[2-[4-(3-hydroxyphenoxy)butoxy]-9H-fluoren-9-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[4-(3-hydroxyphenoxy)butoxy]-9H-fluoren-9-yl]acetate?
The canonical SMILES for ethyl 2-[2-[4-(3-hydroxyphenoxy)butoxy]-9H-fluoren-9-yl]acetate is CCOC(=O)CC1c2ccccc2-c2ccc(OCCCCOc3cccc(O)c3)cc21.
What is the InChIKey of ethyl 2-[2-[4-(3-hydroxyphenoxy)butoxy]-9H-fluoren-9-yl]acetate?
The InChIKey is ZUYVYQLPJVODJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28O5/c1-2-30-27(29)18-26-23-11-4-3-10-22(23)24-13-12-21(17-25(24)26)32-15-6-5-14-31-20-9-7-8-19(28)16-20/h3-4,7-13,16-17,26,28H,2,5-6,14-15,18H2,1H3.
What are the key properties of ethyl 2-[2-[4-(3-hydroxyphenoxy)butoxy]-9H-fluoren-9-yl]acetate?
ethyl 2-[2-[4-(3-hydroxyphenoxy)butoxy]-9H-fluoren-9-yl]acetate has a molecular weight of 432.52 g/mol, XLogP of 5.70, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[4-(3-hydroxyphenoxy)butoxy]-9H-fluoren-9-yl]acetate is sourced from PubChem (CID 91051200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).