3-[5-(9H-fluoren-9-yl)pentoxy]benzoic acid

C25H24O3 — CID 10406961

IUPAC3-[5-(9H-fluoren-9-yl)pentoxy]benzoic acid
SMILESO=C(O)c1cccc(OCCCCCC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C25H24O3/c26-25(27)18-9-8-10-19(17-18)28-16-7-1-2-11-20-21-12-3-5-14-23(21)24-15-6-4-13-22(20)24/h3-6,8-10,12-15,17,20H,1-2,7,11,16H2,(H,26,27)
InChIKeyQOFXKYWGHUQTQT-UHFFFAOYSA-N
MW372.46 g/mol
LogP6.14
Rot. Bonds8

About 3-[5-(9H-fluoren-9-yl)pentoxy]benzoic acid

3-[5-(9H-fluoren-9-yl)pentoxy]benzoic acid (PubChem CID 10406961) has the molecular formula C25H24O3 and a molecular weight of 372.46 g/mol. Its IUPAC name is 3-[5-(9H-fluoren-9-yl)pentoxy]benzoic acid.

Molecular Properties

Compound Name3-[5-(9H-fluoren-9-yl)pentoxy]benzoic acid
PubChem CID10406961
Molecular FormulaC25H24O3
Molecular Weight372.46 g/mol
Exact Mass372.17
IUPAC Name3-[5-(9H-fluoren-9-yl)pentoxy]benzoic acid
SMILESO=C(O)c1cccc(OCCCCCC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C25H24O3/c26-25(27)18-9-8-10-19(17-18)28-16-7-1-2-11-20-21-12-3-5-14-23(21)24-15-6-4-13-22(20)24/h3-6,8-10,12-15,17,20H,1-2,7,11,16H2,(H,26,27)
InChIKeyQOFXKYWGHUQTQT-UHFFFAOYSA-N
XLogP6.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.46
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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5-[2-(4-naphthalen-2-yloxybutoxy)-9H-fluoren-9-yl]pentanoic acid
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3-[2-[bis[2-(3-carboxyphenoxy)ethyl]amino]ethoxy]benzoic acid
CID 86096219
3-[3-(4-methylphenoxy)propoxy]benzoic acid
CID 63072752
3-[2-(cyclopropylmethoxy)ethoxy]benzoic acid
CID 43532308
3-(10-prop-2-enoyloxydecoxy)benzoic acid
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3-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzoic acid
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3-(3-cyclopentylsulfanylpropoxy)benzoic acid
CID 63115754
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Frequently Asked Questions

What is the IUPAC name of 3-[5-(9H-fluoren-9-yl)pentoxy]benzoic acid?
The IUPAC name of 3-[5-(9H-fluoren-9-yl)pentoxy]benzoic acid (CID 10406961) is 3-[5-(9H-fluoren-9-yl)pentoxy]benzoic acid.
What is the SMILES notation for 3-[5-(9H-fluoren-9-yl)pentoxy]benzoic acid?
The canonical SMILES for 3-[5-(9H-fluoren-9-yl)pentoxy]benzoic acid is O=C(O)c1cccc(OCCCCCC2c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 3-[5-(9H-fluoren-9-yl)pentoxy]benzoic acid?
The InChIKey is QOFXKYWGHUQTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O3/c26-25(27)18-9-8-10-19(17-18)28-16-7-1-2-11-20-21-12-3-5-14-23(21)24-15-6-4-13-22(20)24/h3-6,8-10,12-15,17,20H,1-2,7,11,16H2,(H,26,27).
What are the key properties of 3-[5-(9H-fluoren-9-yl)pentoxy]benzoic acid?
3-[5-(9H-fluoren-9-yl)pentoxy]benzoic acid has a molecular weight of 372.46 g/mol, XLogP of 6.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(9H-fluoren-9-yl)pentoxy]benzoic acid is sourced from PubChem (CID 10406961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).