7-(hydroxymethyl)-4b-(methylamino)-5,6,7,8,8a,9-hexahydrofluoren-3-ol

C15H21NO2 — CID 19106964

IUPAC7-(hydroxymethyl)-4b-(methylamino)-5,6,7,8,8a,9-hexahydrofluoren-3-ol
SMILESCNC12CCC(CO)CC1Cc1ccc(O)cc12
InChIInChI=1S/C15H21NO2/c1-16-15-5-4-10(9-17)6-12(15)7-11-2-3-13(18)8-14(11)15/h2-3,8,10,12,16-18H,4-7,9H2,1H3
InChIKeyGTLQZDVKXQGJBH-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.77
Rot. Bonds2

About 7-(hydroxymethyl)-4b-(methylamino)-5,6,7,8,8a,9-hexahydrofluoren-3-ol

7-(hydroxymethyl)-4b-(methylamino)-5,6,7,8,8a,9-hexahydrofluoren-3-ol (PubChem CID 19106964) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 7-(hydroxymethyl)-4b-(methylamino)-5,6,7,8,8a,9-hexahydrofluoren-3-ol.

Molecular Properties

Compound Name7-(hydroxymethyl)-4b-(methylamino)-5,6,7,8,8a,9-hexahydrofluoren-3-ol
PubChem CID19106964
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name7-(hydroxymethyl)-4b-(methylamino)-5,6,7,8,8a,9-hexahydrofluoren-3-ol
SMILESCNC12CCC(CO)CC1Cc1ccc(O)cc12
InChIInChI=1S/C15H21NO2/c1-16-15-5-4-10(9-17)6-12(15)7-11-2-3-13(18)8-14(11)15/h2-3,8,10,12,16-18H,4-7,9H2,1H3
InChIKeyGTLQZDVKXQGJBH-UHFFFAOYSA-N
XLogP1.77
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)-4b-(methylamino)-5,6,7,8,8a,9-hexahydrofluoren-3-ol?
The IUPAC name of 7-(hydroxymethyl)-4b-(methylamino)-5,6,7,8,8a,9-hexahydrofluoren-3-ol (CID 19106964) is 7-(hydroxymethyl)-4b-(methylamino)-5,6,7,8,8a,9-hexahydrofluoren-3-ol.
What is the SMILES notation for 7-(hydroxymethyl)-4b-(methylamino)-5,6,7,8,8a,9-hexahydrofluoren-3-ol?
The canonical SMILES for 7-(hydroxymethyl)-4b-(methylamino)-5,6,7,8,8a,9-hexahydrofluoren-3-ol is CNC12CCC(CO)CC1Cc1ccc(O)cc12.
What is the InChIKey of 7-(hydroxymethyl)-4b-(methylamino)-5,6,7,8,8a,9-hexahydrofluoren-3-ol?
The InChIKey is GTLQZDVKXQGJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-16-15-5-4-10(9-17)6-12(15)7-11-2-3-13(18)8-14(11)15/h2-3,8,10,12,16-18H,4-7,9H2,1H3.
What are the key properties of 7-(hydroxymethyl)-4b-(methylamino)-5,6,7,8,8a,9-hexahydrofluoren-3-ol?
7-(hydroxymethyl)-4b-(methylamino)-5,6,7,8,8a,9-hexahydrofluoren-3-ol has a molecular weight of 247.34 g/mol, XLogP of 1.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)-4b-(methylamino)-5,6,7,8,8a,9-hexahydrofluoren-3-ol is sourced from PubChem (CID 19106964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).