13-(9H-fluoren-1-yl)tridecanoic acid

C26H34O2 — CID 175383257

IUPAC13-(9H-fluoren-1-yl)tridecanoic acid
SMILESO=C(O)CCCCCCCCCCCCc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C26H34O2/c27-26(28)19-10-8-6-4-2-1-3-5-7-9-14-21-16-13-18-24-23-17-12-11-15-22(23)20-25(21)24/h11-13,15-18H,1-10,14,19-20H2,(H,27,28)
InChIKeyYBTFCSPCRDZZKQ-UHFFFAOYSA-N
MW378.56 g/mol
LogP7.18
Rot. Bonds13

About 13-(9H-fluoren-1-yl)tridecanoic acid

13-(9H-fluoren-1-yl)tridecanoic acid (PubChem CID 175383257) has the molecular formula C26H34O2 and a molecular weight of 378.56 g/mol. Its IUPAC name is 13-(9H-fluoren-1-yl)tridecanoic acid.

Molecular Properties

Compound Name13-(9H-fluoren-1-yl)tridecanoic acid
PubChem CID175383257
Molecular FormulaC26H34O2
Molecular Weight378.56 g/mol
Exact Mass378.26
IUPAC Name13-(9H-fluoren-1-yl)tridecanoic acid
SMILESO=C(O)CCCCCCCCCCCCc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C26H34O2/c27-26(28)19-10-8-6-4-2-1-3-5-7-9-14-21-16-13-18-24-23-17-12-11-15-22(23)20-25(21)24/h11-13,15-18H,1-10,14,19-20H2,(H,27,28)
InChIKeyYBTFCSPCRDZZKQ-UHFFFAOYSA-N
XLogP7.18
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(9H-fluoren-1-yl)pentane-1-thiol
CID 141354890
butane;9H-fluorene;1-hexyl-9H-fluorene;zirconium
CID 173317551
5-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanoic acid
CID 12646162
16-(2-hydroxyphenyl)hexadecanoic acid
CID 118366934
2-[3-(9H-fluoren-1-yl)propanoyloxy]ethyl 3-(9H-fluoren-1-yl)propanoate
CID 160987584
2-(9H-fluoren-1-yl)acetamide
CID 22939017
1-(4,4,4-trifluorobutyl)-9H-fluorene
CID 157441303
S-ethyl 2-(9H-fluoren-1-yl)ethanethioate
CID 172829129
3-[[2-(9H-fluoren-1-ylmethoxy)-2-oxoacetyl]amino]propanoic acid
CID 23220870
1-ethyl-9H-fluorene;prop-2-enoic acid
CID 175512160
2,2-diamino-3-(9H-fluoren-1-ylmethoxycarbonyl)heptanedioic acid
CID 174973010
5-(9-oxofluoren-4-yl)pentanoic acid
CID 69332355

Frequently Asked Questions

What is the IUPAC name of 13-(9H-fluoren-1-yl)tridecanoic acid?
The IUPAC name of 13-(9H-fluoren-1-yl)tridecanoic acid (CID 175383257) is 13-(9H-fluoren-1-yl)tridecanoic acid.
What is the SMILES notation for 13-(9H-fluoren-1-yl)tridecanoic acid?
The canonical SMILES for 13-(9H-fluoren-1-yl)tridecanoic acid is O=C(O)CCCCCCCCCCCCc1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 13-(9H-fluoren-1-yl)tridecanoic acid?
The InChIKey is YBTFCSPCRDZZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O2/c27-26(28)19-10-8-6-4-2-1-3-5-7-9-14-21-16-13-18-24-23-17-12-11-15-22(23)20-25(21)24/h11-13,15-18H,1-10,14,19-20H2,(H,27,28).
What are the key properties of 13-(9H-fluoren-1-yl)tridecanoic acid?
13-(9H-fluoren-1-yl)tridecanoic acid has a molecular weight of 378.56 g/mol, XLogP of 7.18, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(9H-fluoren-1-yl)tridecanoic acid is sourced from PubChem (CID 175383257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).