1-[(4-methylphenyl)methyl]-10H-anthracen-9-one

C22H18O — CID 158681595

IUPAC1-[(4-methylphenyl)methyl]-10H-anthracen-9-one
SMILESCc1ccc(Cc2cccc3c2C(=O)c2ccccc2C3)cc1
InChIInChI=1S/C22H18O/c1-15-9-11-16(12-10-15)13-18-6-4-7-19-14-17-5-2-3-8-20(17)22(23)21(18)19/h2-12H,13-14H2,1H3
InChIKeyIFEWVOHHDLWXJE-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.72
Rot. Bonds2

About 1-[(4-methylphenyl)methyl]-10H-anthracen-9-one

1-[(4-methylphenyl)methyl]-10H-anthracen-9-one (PubChem CID 158681595) has the molecular formula C22H18O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-10H-anthracen-9-one.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-10H-anthracen-9-one
PubChem CID158681595
Molecular FormulaC22H18O
Molecular Weight298.39 g/mol
Exact Mass298.14
IUPAC Name1-[(4-methylphenyl)methyl]-10H-anthracen-9-one
SMILESCc1ccc(Cc2cccc3c2C(=O)c2ccccc2C3)cc1
InChIInChI=1S/C22H18O/c1-15-9-11-16(12-10-15)13-18-6-4-7-19-14-17-5-2-3-8-20(17)22(23)21(18)19/h2-12H,13-14H2,1H3
InChIKeyIFEWVOHHDLWXJE-UHFFFAOYSA-N
XLogP4.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-10H-anthracen-9-one?
The IUPAC name of 1-[(4-methylphenyl)methyl]-10H-anthracen-9-one (CID 158681595) is 1-[(4-methylphenyl)methyl]-10H-anthracen-9-one.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-10H-anthracen-9-one?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-10H-anthracen-9-one is Cc1ccc(Cc2cccc3c2C(=O)c2ccccc2C3)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-10H-anthracen-9-one?
The InChIKey is IFEWVOHHDLWXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O/c1-15-9-11-16(12-10-15)13-18-6-4-7-19-14-17-5-2-3-8-20(17)22(23)21(18)19/h2-12H,13-14H2,1H3.
What are the key properties of 1-[(4-methylphenyl)methyl]-10H-anthracen-9-one?
1-[(4-methylphenyl)methyl]-10H-anthracen-9-one has a molecular weight of 298.39 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-10H-anthracen-9-one is sourced from PubChem (CID 158681595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).