1-(9,10-dihydroanthracen-2-yl)-2-hydroxy-2-methylpropan-1-one

C18H18O2 — CID 177311615

IUPAC1-(9,10-dihydroanthracen-2-yl)-2-hydroxy-2-methylpropan-1-one
SMILESCC(C)(O)C(=O)c1ccc2c(c1)Cc1ccccc1C2
InChIInChI=1S/C18H18O2/c1-18(2,20)17(19)15-8-7-14-9-12-5-3-4-6-13(12)10-16(14)11-15/h3-8,11,20H,9-10H2,1-2H3
InChIKeyFVCJHSXUPBOZST-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.14
Rot. Bonds2

About 1-(9,10-dihydroanthracen-2-yl)-2-hydroxy-2-methylpropan-1-one

1-(9,10-dihydroanthracen-2-yl)-2-hydroxy-2-methylpropan-1-one (PubChem CID 177311615) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(9,10-dihydroanthracen-2-yl)-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(9,10-dihydroanthracen-2-yl)-2-hydroxy-2-methylpropan-1-one
PubChem CID177311615
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name1-(9,10-dihydroanthracen-2-yl)-2-hydroxy-2-methylpropan-1-one
SMILESCC(C)(O)C(=O)c1ccc2c(c1)Cc1ccccc1C2
InChIInChI=1S/C18H18O2/c1-18(2,20)17(19)15-8-7-14-9-12-5-3-4-6-13(12)10-16(14)11-15/h3-8,11,20H,9-10H2,1-2H3
InChIKeyFVCJHSXUPBOZST-UHFFFAOYSA-N
XLogP3.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(9,10-dihydroanthracen-2-yl)-2-hydroxy-2-methylpropan-1-one?
The IUPAC name of 1-(9,10-dihydroanthracen-2-yl)-2-hydroxy-2-methylpropan-1-one (CID 177311615) is 1-(9,10-dihydroanthracen-2-yl)-2-hydroxy-2-methylpropan-1-one.
What is the SMILES notation for 1-(9,10-dihydroanthracen-2-yl)-2-hydroxy-2-methylpropan-1-one?
The canonical SMILES for 1-(9,10-dihydroanthracen-2-yl)-2-hydroxy-2-methylpropan-1-one is CC(C)(O)C(=O)c1ccc2c(c1)Cc1ccccc1C2.
What is the InChIKey of 1-(9,10-dihydroanthracen-2-yl)-2-hydroxy-2-methylpropan-1-one?
The InChIKey is FVCJHSXUPBOZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-18(2,20)17(19)15-8-7-14-9-12-5-3-4-6-13(12)10-16(14)11-15/h3-8,11,20H,9-10H2,1-2H3.
What are the key properties of 1-(9,10-dihydroanthracen-2-yl)-2-hydroxy-2-methylpropan-1-one?
1-(9,10-dihydroanthracen-2-yl)-2-hydroxy-2-methylpropan-1-one has a molecular weight of 266.34 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,10-dihydroanthracen-2-yl)-2-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 177311615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).