10-hydroxy-9a,10-dihydro-1H-anthracen-9-one

C14H12O2 — CID 163837296

IUPAC10-hydroxy-9a,10-dihydro-1H-anthracen-9-one
SMILESO=C1c2ccccc2C(O)C2=CC=CCC12
InChIInChI=1S/C14H12O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-7,12-13,15H,8H2
InChIKeyOIWKIOBHKZGZRQ-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.42
Rot. Bonds

About 10-hydroxy-9a,10-dihydro-1H-anthracen-9-one

10-hydroxy-9a,10-dihydro-1H-anthracen-9-one (PubChem CID 163837296) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 10-hydroxy-9a,10-dihydro-1H-anthracen-9-one.

Molecular Properties

Compound Name10-hydroxy-9a,10-dihydro-1H-anthracen-9-one
PubChem CID163837296
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name10-hydroxy-9a,10-dihydro-1H-anthracen-9-one
SMILESO=C1c2ccccc2C(O)C2=CC=CCC12
InChIInChI=1S/C14H12O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-7,12-13,15H,8H2
InChIKeyOIWKIOBHKZGZRQ-UHFFFAOYSA-N
XLogP2.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-hydroxy-9a,10-dihydro-1H-anthracen-9-one?
The IUPAC name of 10-hydroxy-9a,10-dihydro-1H-anthracen-9-one (CID 163837296) is 10-hydroxy-9a,10-dihydro-1H-anthracen-9-one.
What is the SMILES notation for 10-hydroxy-9a,10-dihydro-1H-anthracen-9-one?
The canonical SMILES for 10-hydroxy-9a,10-dihydro-1H-anthracen-9-one is O=C1c2ccccc2C(O)C2=CC=CCC12.
What is the InChIKey of 10-hydroxy-9a,10-dihydro-1H-anthracen-9-one?
The InChIKey is OIWKIOBHKZGZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-7,12-13,15H,8H2.
What are the key properties of 10-hydroxy-9a,10-dihydro-1H-anthracen-9-one?
10-hydroxy-9a,10-dihydro-1H-anthracen-9-one has a molecular weight of 212.25 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-9a,10-dihydro-1H-anthracen-9-one is sourced from PubChem (CID 163837296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).