fluoranthen-1-ol

C16H10O — CID 3014645

IUPACfluoranthen-1-ol
SMILESOc1ccc2cccc3c2c1-c1ccccc1-3
InChIInChI=1S/C16H10O/c17-14-9-8-10-4-3-7-12-11-5-1-2-6-13(11)16(14)15(10)12/h1-9,17H
InChIKeyCJQDARRYJRAZBV-UHFFFAOYSA-N
MW218.25 g/mol
LogP4.19
Rot. Bonds

About fluoranthen-1-ol

fluoranthen-1-ol (PubChem CID 3014645) has the molecular formula C16H10O and a molecular weight of 218.25 g/mol. Its IUPAC name is fluoranthen-1-ol.

Molecular Properties

Compound Namefluoranthen-1-ol
PubChem CID3014645
Molecular FormulaC16H10O
Molecular Weight218.25 g/mol
Exact Mass218.07
IUPAC Namefluoranthen-1-ol
SMILESOc1ccc2cccc3c2c1-c1ccccc1-3
InChIInChI=1S/C16H10O/c17-14-9-8-10-4-3-7-12-11-5-1-2-6-13(11)16(14)15(10)12/h1-9,17H
InChIKeyCJQDARRYJRAZBV-UHFFFAOYSA-N
XLogP4.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze fluoranthen-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of fluoranthen-1-ol?
The IUPAC name of fluoranthen-1-ol (CID 3014645) is fluoranthen-1-ol.
What is the SMILES notation for fluoranthen-1-ol?
The canonical SMILES for fluoranthen-1-ol is Oc1ccc2cccc3c2c1-c1ccccc1-3.
What is the InChIKey of fluoranthen-1-ol?
The InChIKey is CJQDARRYJRAZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O/c17-14-9-8-10-4-3-7-12-11-5-1-2-6-13(11)16(14)15(10)12/h1-9,17H.
What are the key properties of fluoranthen-1-ol?
fluoranthen-1-ol has a molecular weight of 218.25 g/mol, XLogP of 4.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for fluoranthen-1-ol is sourced from PubChem (CID 3014645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).