5-[2-(4-naphthalen-2-yloxybutoxy)-9H-fluoren-9-yl]pentanoic acid

C32H32O4 — CID 143490688

IUPAC5-[2-(4-naphthalen-2-yloxybutoxy)-9H-fluoren-9-yl]pentanoic acid
SMILESO=C(O)CCCCC1c2ccccc2-c2ccc(OCCCCOc3ccc4ccccc4c3)cc21
InChIInChI=1S/C32H32O4/c33-32(34)14-6-5-13-29-27-11-3-4-12-28(27)30-18-17-26(22-31(29)30)36-20-8-7-19-35-25-16-15-23-9-1-2-10-24(23)21-25/h1-4,9-12,15-18,21-22,29H,5-8,13-14,19-20H2,(H,33,34)
InChIKeyZTDGBDCMMSLPPD-UHFFFAOYSA-N
MW480.60 g/mol
LogP7.84
Rot. Bonds12

About 5-[2-(4-naphthalen-2-yloxybutoxy)-9H-fluoren-9-yl]pentanoic acid

5-[2-(4-naphthalen-2-yloxybutoxy)-9H-fluoren-9-yl]pentanoic acid (PubChem CID 143490688) has the molecular formula C32H32O4 and a molecular weight of 480.60 g/mol. Its IUPAC name is 5-[2-(4-naphthalen-2-yloxybutoxy)-9H-fluoren-9-yl]pentanoic acid.

Molecular Properties

Compound Name5-[2-(4-naphthalen-2-yloxybutoxy)-9H-fluoren-9-yl]pentanoic acid
PubChem CID143490688
Molecular FormulaC32H32O4
Molecular Weight480.60 g/mol
Exact Mass480.23
IUPAC Name5-[2-(4-naphthalen-2-yloxybutoxy)-9H-fluoren-9-yl]pentanoic acid
SMILESO=C(O)CCCCC1c2ccccc2-c2ccc(OCCCCOc3ccc4ccccc4c3)cc21
InChIInChI=1S/C32H32O4/c33-32(34)14-6-5-13-29-27-11-3-4-12-28(27)30-18-17-26(22-31(29)30)36-20-8-7-19-35-25-16-15-23-9-1-2-10-24(23)21-25/h1-4,9-12,15-18,21-22,29H,5-8,13-14,19-20H2,(H,33,34)
InChIKeyZTDGBDCMMSLPPD-UHFFFAOYSA-N
XLogP7.84
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.60
LogP ≤ 57.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-naphthalen-2-yloxyheptanoic acid
CID 39371628
7-naphthalen-2-yloxyhept-1-en-2-ol;7-phenoxyheptanoic acid
CID 142555258
5-[2-[4-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]butoxy]-9H-fluoren-9-yl]pentanoic acid
CID 143490773
5-naphthalen-1-yloxypentanoic acid;5-naphthalen-2-yloxypentanoic acid
CID 138543521
3-[5-(9H-fluoren-9-yl)pentoxy]benzoic acid
CID 10406961
2-methylidene-12-naphthalen-2-yloxydodecanoic acid
CID 118914918
3-[methyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid
CID 82224138
2-[4-[4-(9H-fluoren-9-yl)butoxy]phenyl]-2-methoxypropanoic acid
CID 57110018
8-naphthalen-2-yloxy-8-oxooctanoic acid
CID 70617046
9-phenoxynonanoic acid
CID 15887638
6-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyhexanoic acid
CID 59492967
9-(4-phenylphenoxy)nonanoic acid
CID 66874790

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-naphthalen-2-yloxybutoxy)-9H-fluoren-9-yl]pentanoic acid?
The IUPAC name of 5-[2-(4-naphthalen-2-yloxybutoxy)-9H-fluoren-9-yl]pentanoic acid (CID 143490688) is 5-[2-(4-naphthalen-2-yloxybutoxy)-9H-fluoren-9-yl]pentanoic acid.
What is the SMILES notation for 5-[2-(4-naphthalen-2-yloxybutoxy)-9H-fluoren-9-yl]pentanoic acid?
The canonical SMILES for 5-[2-(4-naphthalen-2-yloxybutoxy)-9H-fluoren-9-yl]pentanoic acid is O=C(O)CCCCC1c2ccccc2-c2ccc(OCCCCOc3ccc4ccccc4c3)cc21.
What is the InChIKey of 5-[2-(4-naphthalen-2-yloxybutoxy)-9H-fluoren-9-yl]pentanoic acid?
The InChIKey is ZTDGBDCMMSLPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32O4/c33-32(34)14-6-5-13-29-27-11-3-4-12-28(27)30-18-17-26(22-31(29)30)36-20-8-7-19-35-25-16-15-23-9-1-2-10-24(23)21-25/h1-4,9-12,15-18,21-22,29H,5-8,13-14,19-20H2,(H,33,34).
What are the key properties of 5-[2-(4-naphthalen-2-yloxybutoxy)-9H-fluoren-9-yl]pentanoic acid?
5-[2-(4-naphthalen-2-yloxybutoxy)-9H-fluoren-9-yl]pentanoic acid has a molecular weight of 480.60 g/mol, XLogP of 7.84, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-naphthalen-2-yloxybutoxy)-9H-fluoren-9-yl]pentanoic acid is sourced from PubChem (CID 143490688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).