2-hydroxy-3,4,4a,5,10,10a-hexahydro-2H-anthracen-1-one

C14H16O2 — CID 162350001

IUPAC2-hydroxy-3,4,4a,5,10,10a-hexahydro-2H-anthracen-1-one
SMILESO=C1C2=CC3=CC=CCC3CC2CCC1O
InChIInChI=1S/C14H16O2/c15-13-6-5-11-7-9-3-1-2-4-10(9)8-12(11)14(13)16/h1-2,4,8-9,11,13,15H,3,5-7H2
InChIKeyJTYAMDYRIZSUCI-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.16
Rot. Bonds

About 2-hydroxy-3,4,4a,5,10,10a-hexahydro-2H-anthracen-1-one

2-hydroxy-3,4,4a,5,10,10a-hexahydro-2H-anthracen-1-one (PubChem CID 162350001) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-hydroxy-3,4,4a,5,10,10a-hexahydro-2H-anthracen-1-one.

Molecular Properties

Compound Name2-hydroxy-3,4,4a,5,10,10a-hexahydro-2H-anthracen-1-one
PubChem CID162350001
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name2-hydroxy-3,4,4a,5,10,10a-hexahydro-2H-anthracen-1-one
SMILESO=C1C2=CC3=CC=CCC3CC2CCC1O
InChIInChI=1S/C14H16O2/c15-13-6-5-11-7-9-3-1-2-4-10(9)8-12(11)14(13)16/h1-2,4,8-9,11,13,15H,3,5-7H2
InChIKeyJTYAMDYRIZSUCI-UHFFFAOYSA-N
XLogP2.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,4,4a,5,10,10a-hexahydro-2H-anthracen-1-one?
The IUPAC name of 2-hydroxy-3,4,4a,5,10,10a-hexahydro-2H-anthracen-1-one (CID 162350001) is 2-hydroxy-3,4,4a,5,10,10a-hexahydro-2H-anthracen-1-one.
What is the SMILES notation for 2-hydroxy-3,4,4a,5,10,10a-hexahydro-2H-anthracen-1-one?
The canonical SMILES for 2-hydroxy-3,4,4a,5,10,10a-hexahydro-2H-anthracen-1-one is O=C1C2=CC3=CC=CCC3CC2CCC1O.
What is the InChIKey of 2-hydroxy-3,4,4a,5,10,10a-hexahydro-2H-anthracen-1-one?
The InChIKey is JTYAMDYRIZSUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c15-13-6-5-11-7-9-3-1-2-4-10(9)8-12(11)14(13)16/h1-2,4,8-9,11,13,15H,3,5-7H2.
What are the key properties of 2-hydroxy-3,4,4a,5,10,10a-hexahydro-2H-anthracen-1-one?
2-hydroxy-3,4,4a,5,10,10a-hexahydro-2H-anthracen-1-one has a molecular weight of 216.28 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,4,4a,5,10,10a-hexahydro-2H-anthracen-1-one is sourced from PubChem (CID 162350001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).