5,6-dihydro-4H-fluoranthen-6a-ylmethanol

C17H16O — CID 56843270

IUPAC5,6-dihydro-4H-fluoranthen-6a-ylmethanol
SMILESOCC12CCCc3cccc(c31)-c1ccccc12
InChIInChI=1S/C17H16O/c18-11-17-10-4-6-12-5-3-8-14(16(12)17)13-7-1-2-9-15(13)17/h1-3,5,7-9,18H,4,6,10-11H2
InChIKeyREEDTDAAIXYAOV-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.28
Rot. Bonds1

About 5,6-dihydro-4H-fluoranthen-6a-ylmethanol

5,6-dihydro-4H-fluoranthen-6a-ylmethanol (PubChem CID 56843270) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 5,6-dihydro-4H-fluoranthen-6a-ylmethanol.

Molecular Properties

Compound Name5,6-dihydro-4H-fluoranthen-6a-ylmethanol
PubChem CID56843270
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name5,6-dihydro-4H-fluoranthen-6a-ylmethanol
SMILESOCC12CCCc3cccc(c31)-c1ccccc12
InChIInChI=1S/C17H16O/c18-11-17-10-4-6-12-5-3-8-14(16(12)17)13-7-1-2-9-15(13)17/h1-3,5,7-9,18H,4,6,10-11H2
InChIKeyREEDTDAAIXYAOV-UHFFFAOYSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-fluoranthen-6a-ylmethanol?
The IUPAC name of 5,6-dihydro-4H-fluoranthen-6a-ylmethanol (CID 56843270) is 5,6-dihydro-4H-fluoranthen-6a-ylmethanol.
What is the SMILES notation for 5,6-dihydro-4H-fluoranthen-6a-ylmethanol?
The canonical SMILES for 5,6-dihydro-4H-fluoranthen-6a-ylmethanol is OCC12CCCc3cccc(c31)-c1ccccc12.
What is the InChIKey of 5,6-dihydro-4H-fluoranthen-6a-ylmethanol?
The InChIKey is REEDTDAAIXYAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c18-11-17-10-4-6-12-5-3-8-14(16(12)17)13-7-1-2-9-15(13)17/h1-3,5,7-9,18H,4,6,10-11H2.
What are the key properties of 5,6-dihydro-4H-fluoranthen-6a-ylmethanol?
5,6-dihydro-4H-fluoranthen-6a-ylmethanol has a molecular weight of 236.31 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-fluoranthen-6a-ylmethanol is sourced from PubChem (CID 56843270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).