4-anthracen-9-yl-2-methylphenol

C21H16O — CID 156873853

IUPAC4-anthracen-9-yl-2-methylphenol
SMILESCc1cc(-c2c3ccccc3cc3ccccc23)ccc1O
InChIInChI=1S/C21H16O/c1-14-12-17(10-11-20(14)22)21-18-8-4-2-6-15(18)13-16-7-3-5-9-19(16)21/h2-13,22H,1H3
InChIKeyZMLIAWZVVPGHQO-UHFFFAOYSA-N
MW284.36 g/mol
LogP5.67
Rot. Bonds1

About 4-anthracen-9-yl-2-methylphenol

4-anthracen-9-yl-2-methylphenol (PubChem CID 156873853) has the molecular formula C21H16O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-anthracen-9-yl-2-methylphenol.

Molecular Properties

Compound Name4-anthracen-9-yl-2-methylphenol
PubChem CID156873853
Molecular FormulaC21H16O
Molecular Weight284.36 g/mol
Exact Mass284.12
IUPAC Name4-anthracen-9-yl-2-methylphenol
SMILESCc1cc(-c2c3ccccc3cc3ccccc23)ccc1O
InChIInChI=1S/C21H16O/c1-14-12-17(10-11-20(14)22)21-18-8-4-2-6-15(18)13-16-7-3-5-9-19(16)21/h2-13,22H,1H3
InChIKeyZMLIAWZVVPGHQO-UHFFFAOYSA-N
XLogP5.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.36
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-(4-methylnaphthalen-1-yl)phenol
CID 53405300
2-methyl-4-(4-phenylphenyl)phenol
CID 83131251
3-anthracen-9-ylphenol
CID 91210590
9-anthracen-9-ylanthracene;toluene
CID 86148014
9-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene
CID 86701353
4-[3-(1,1-dinaphthalen-1-ylethyl)-4-hydroxyphenyl]-2-methylphenol
CID 118264402
2-[1-[2-(2-hydroxyphenyl)-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]phenol
CID 4181148
4-[10-(5-anthracen-9-yl-2,4-dihydroxyphenyl)anthracen-9-yl]-6-[3,5-bis[5-[10-(5-anthracen-9-yl-2,4-dihydroxyphenyl)anthracen-9-yl]-2,4-dihydroxyphenyl]-2,4,6-trimethylphenyl]benzene-1,3-diol
CID 122211768
2-[[2-hydroxy-5-(4-hydroxy-3-methylphenyl)-3-methylphenyl]-naphthalen-1-ylmethyl]-4-(4-hydroxy-3-methylphenyl)-6-methylphenol
CID 164762157
4-(2,6-diethylphenyl)-2-methylphenol
CID 154385947
2-[3,5-di(anthracen-9-yl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 88542086
1-methyl-3-(4-methylnaphthalen-2-yl)naphthalene
CID 58049667

Frequently Asked Questions

What is the IUPAC name of 4-anthracen-9-yl-2-methylphenol?
The IUPAC name of 4-anthracen-9-yl-2-methylphenol (CID 156873853) is 4-anthracen-9-yl-2-methylphenol.
What is the SMILES notation for 4-anthracen-9-yl-2-methylphenol?
The canonical SMILES for 4-anthracen-9-yl-2-methylphenol is Cc1cc(-c2c3ccccc3cc3ccccc23)ccc1O.
What is the InChIKey of 4-anthracen-9-yl-2-methylphenol?
The InChIKey is ZMLIAWZVVPGHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O/c1-14-12-17(10-11-20(14)22)21-18-8-4-2-6-15(18)13-16-7-3-5-9-19(16)21/h2-13,22H,1H3.
What are the key properties of 4-anthracen-9-yl-2-methylphenol?
4-anthracen-9-yl-2-methylphenol has a molecular weight of 284.36 g/mol, XLogP of 5.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anthracen-9-yl-2-methylphenol is sourced from PubChem (CID 156873853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).