9H-fluoren-1-yl acetate;propane-1,2-diol

C18H20O4 — CID 159192832

IUPAC9H-fluoren-1-yl acetate;propane-1,2-diol
SMILESCC(=O)Oc1cccc2c1Cc1ccccc1-2.CC(O)CO
InChIInChI=1S/C15H12O2.C3H8O2/c1-10(16)17-15-8-4-7-13-12-6-3-2-5-11(12)9-14(13)15;1-3(5)2-4/h2-8H,9H2,1H3;3-5H,2H2,1H3
InChIKeyKOHNLVFGUZSEGB-UHFFFAOYSA-N
MW300.35 g/mol
LogP2.54
Rot. Bonds2

About 9H-fluoren-1-yl acetate;propane-1,2-diol

9H-fluoren-1-yl acetate;propane-1,2-diol (PubChem CID 159192832) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 9H-fluoren-1-yl acetate;propane-1,2-diol.

Molecular Properties

Compound Name9H-fluoren-1-yl acetate;propane-1,2-diol
PubChem CID159192832
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name9H-fluoren-1-yl acetate;propane-1,2-diol
SMILESCC(=O)Oc1cccc2c1Cc1ccccc1-2.CC(O)CO
InChIInChI=1S/C15H12O2.C3H8O2/c1-10(16)17-15-8-4-7-13-12-6-3-2-5-11(12)9-14(13)15;1-3(5)2-4/h2-8H,9H2,1H3;3-5H,2H2,1H3
InChIKeyKOHNLVFGUZSEGB-UHFFFAOYSA-N
XLogP2.54
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-1-yl acetate;propane-1,2-diol?
The IUPAC name of 9H-fluoren-1-yl acetate;propane-1,2-diol (CID 159192832) is 9H-fluoren-1-yl acetate;propane-1,2-diol.
What is the SMILES notation for 9H-fluoren-1-yl acetate;propane-1,2-diol?
The canonical SMILES for 9H-fluoren-1-yl acetate;propane-1,2-diol is CC(=O)Oc1cccc2c1Cc1ccccc1-2.CC(O)CO.
What is the InChIKey of 9H-fluoren-1-yl acetate;propane-1,2-diol?
The InChIKey is KOHNLVFGUZSEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2.C3H8O2/c1-10(16)17-15-8-4-7-13-12-6-3-2-5-11(12)9-14(13)15;1-3(5)2-4/h2-8H,9H2,1H3;3-5H,2H2,1H3.
What are the key properties of 9H-fluoren-1-yl acetate;propane-1,2-diol?
9H-fluoren-1-yl acetate;propane-1,2-diol has a molecular weight of 300.35 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-1-yl acetate;propane-1,2-diol is sourced from PubChem (CID 159192832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).