4-[anthracen-9-yl-(4-methylphenyl)methyl]phenol

C28H22O — CID 20634072

IUPAC4-[anthracen-9-yl-(4-methylphenyl)methyl]phenol
SMILESCc1ccc(C(c2ccc(O)cc2)c2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C28H22O/c1-19-10-12-20(13-11-19)27(21-14-16-24(29)17-15-21)28-25-8-4-2-6-22(25)18-23-7-3-5-9-26(23)28/h2-18,27,29H,1H3
InChIKeyLDKOAXANUXJLOS-UHFFFAOYSA-N
MW374.48 g/mol
LogP7.19
Rot. Bonds3

About 4-[anthracen-9-yl-(4-methylphenyl)methyl]phenol

4-[anthracen-9-yl-(4-methylphenyl)methyl]phenol (PubChem CID 20634072) has the molecular formula C28H22O and a molecular weight of 374.48 g/mol. Its IUPAC name is 4-[anthracen-9-yl-(4-methylphenyl)methyl]phenol.

Molecular Properties

Compound Name4-[anthracen-9-yl-(4-methylphenyl)methyl]phenol
PubChem CID20634072
Molecular FormulaC28H22O
Molecular Weight374.48 g/mol
Exact Mass374.17
IUPAC Name4-[anthracen-9-yl-(4-methylphenyl)methyl]phenol
SMILESCc1ccc(C(c2ccc(O)cc2)c2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C28H22O/c1-19-10-12-20(13-11-19)27(21-14-16-24(29)17-15-21)28-25-8-4-2-6-22(25)18-23-7-3-5-9-26(23)28/h2-18,27,29H,1H3
InChIKeyLDKOAXANUXJLOS-UHFFFAOYSA-N
XLogP7.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[anthracen-9-yl-(4-methylphenyl)methyl]phenol?
The IUPAC name of 4-[anthracen-9-yl-(4-methylphenyl)methyl]phenol (CID 20634072) is 4-[anthracen-9-yl-(4-methylphenyl)methyl]phenol.
What is the SMILES notation for 4-[anthracen-9-yl-(4-methylphenyl)methyl]phenol?
The canonical SMILES for 4-[anthracen-9-yl-(4-methylphenyl)methyl]phenol is Cc1ccc(C(c2ccc(O)cc2)c2c3ccccc3cc3ccccc23)cc1.
What is the InChIKey of 4-[anthracen-9-yl-(4-methylphenyl)methyl]phenol?
The InChIKey is LDKOAXANUXJLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O/c1-19-10-12-20(13-11-19)27(21-14-16-24(29)17-15-21)28-25-8-4-2-6-22(25)18-23-7-3-5-9-26(23)28/h2-18,27,29H,1H3.
What are the key properties of 4-[anthracen-9-yl-(4-methylphenyl)methyl]phenol?
4-[anthracen-9-yl-(4-methylphenyl)methyl]phenol has a molecular weight of 374.48 g/mol, XLogP of 7.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[anthracen-9-yl-(4-methylphenyl)methyl]phenol is sourced from PubChem (CID 20634072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).