2-(9H-fluoren-1-yl)butane-1,1,1-triol

C17H18O3 — CID 141018986

IUPAC2-(9H-fluoren-1-yl)butane-1,1,1-triol
SMILESCCC(c1cccc2c1Cc1ccccc1-2)C(O)(O)O
InChIInChI=1S/C17H18O3/c1-2-16(17(18,19)20)14-9-5-8-13-12-7-4-3-6-11(12)10-15(13)14/h3-9,16,18-20H,2,10H2,1H3
InChIKeyUFNDYARBEYYWLT-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.38
Rot. Bonds3

About 2-(9H-fluoren-1-yl)butane-1,1,1-triol

2-(9H-fluoren-1-yl)butane-1,1,1-triol (PubChem CID 141018986) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(9H-fluoren-1-yl)butane-1,1,1-triol.

Molecular Properties

Compound Name2-(9H-fluoren-1-yl)butane-1,1,1-triol
PubChem CID141018986
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2-(9H-fluoren-1-yl)butane-1,1,1-triol
SMILESCCC(c1cccc2c1Cc1ccccc1-2)C(O)(O)O
InChIInChI=1S/C17H18O3/c1-2-16(17(18,19)20)14-9-5-8-13-12-7-4-3-6-11(12)10-15(13)14/h3-9,16,18-20H,2,10H2,1H3
InChIKeyUFNDYARBEYYWLT-UHFFFAOYSA-N
XLogP2.38
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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1-(2-methylpropyl)-9H-fluorene
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1-(3,3-diethoxydodec-1-en-4-yl)-9H-fluorene
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3-ethylpentane;bis(9H-fluorene)
CID 161034043
CID 123562270
CID 123562270
1-[2,3-di(propan-2-yl)phenyl]-9H-fluorene
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1-(3-ethyl-9H-fluoren-1-yl)propan-1-ol
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S-ethyl 2-(9H-fluoren-1-yl)ethanethioate
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Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-1-yl)butane-1,1,1-triol?
The IUPAC name of 2-(9H-fluoren-1-yl)butane-1,1,1-triol (CID 141018986) is 2-(9H-fluoren-1-yl)butane-1,1,1-triol.
What is the SMILES notation for 2-(9H-fluoren-1-yl)butane-1,1,1-triol?
The canonical SMILES for 2-(9H-fluoren-1-yl)butane-1,1,1-triol is CCC(c1cccc2c1Cc1ccccc1-2)C(O)(O)O.
What is the InChIKey of 2-(9H-fluoren-1-yl)butane-1,1,1-triol?
The InChIKey is UFNDYARBEYYWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-2-16(17(18,19)20)14-9-5-8-13-12-7-4-3-6-11(12)10-15(13)14/h3-9,16,18-20H,2,10H2,1H3.
What are the key properties of 2-(9H-fluoren-1-yl)butane-1,1,1-triol?
2-(9H-fluoren-1-yl)butane-1,1,1-triol has a molecular weight of 270.33 g/mol, XLogP of 2.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-1-yl)butane-1,1,1-triol is sourced from PubChem (CID 141018986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).