10-hydroxy-2,3,4,4a,8a,9a,10,10a-octahydro-1H-anthracen-9-one

C14H18O2 — CID 70476568

IUPAC10-hydroxy-2,3,4,4a,8a,9a,10,10a-octahydro-1H-anthracen-9-one
SMILESO=C1C2C=CC=CC2C(O)C2CCCCC12
InChIInChI=1S/C14H18O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-2,5-6,9-13,15H,3-4,7-8H2
InChIKeyQKWYREPLGZKNKL-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.09
Rot. Bonds

About 10-hydroxy-2,3,4,4a,8a,9a,10,10a-octahydro-1H-anthracen-9-one

10-hydroxy-2,3,4,4a,8a,9a,10,10a-octahydro-1H-anthracen-9-one (PubChem CID 70476568) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 10-hydroxy-2,3,4,4a,8a,9a,10,10a-octahydro-1H-anthracen-9-one.

Molecular Properties

Compound Name10-hydroxy-2,3,4,4a,8a,9a,10,10a-octahydro-1H-anthracen-9-one
PubChem CID70476568
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name10-hydroxy-2,3,4,4a,8a,9a,10,10a-octahydro-1H-anthracen-9-one
SMILESO=C1C2C=CC=CC2C(O)C2CCCCC12
InChIInChI=1S/C14H18O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-2,5-6,9-13,15H,3-4,7-8H2
InChIKeyQKWYREPLGZKNKL-UHFFFAOYSA-N
XLogP2.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-hydroxy-2,3,4,4a,8a,9a,10,10a-octahydro-1H-anthracen-9-one?
The IUPAC name of 10-hydroxy-2,3,4,4a,8a,9a,10,10a-octahydro-1H-anthracen-9-one (CID 70476568) is 10-hydroxy-2,3,4,4a,8a,9a,10,10a-octahydro-1H-anthracen-9-one.
What is the SMILES notation for 10-hydroxy-2,3,4,4a,8a,9a,10,10a-octahydro-1H-anthracen-9-one?
The canonical SMILES for 10-hydroxy-2,3,4,4a,8a,9a,10,10a-octahydro-1H-anthracen-9-one is O=C1C2C=CC=CC2C(O)C2CCCCC12.
What is the InChIKey of 10-hydroxy-2,3,4,4a,8a,9a,10,10a-octahydro-1H-anthracen-9-one?
The InChIKey is QKWYREPLGZKNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-2,5-6,9-13,15H,3-4,7-8H2.
What are the key properties of 10-hydroxy-2,3,4,4a,8a,9a,10,10a-octahydro-1H-anthracen-9-one?
10-hydroxy-2,3,4,4a,8a,9a,10,10a-octahydro-1H-anthracen-9-one has a molecular weight of 218.30 g/mol, XLogP of 2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-2,3,4,4a,8a,9a,10,10a-octahydro-1H-anthracen-9-one is sourced from PubChem (CID 70476568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).