1,2-bis[(4-methoxyphenyl)methyl]anthracene

C30H26O2 — CID 174931223

IUPAC1,2-bis[(4-methoxyphenyl)methyl]anthracene
SMILESCOc1ccc(Cc2ccc3cc4ccccc4cc3c2Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C30H26O2/c1-31-27-13-7-21(8-14-27)17-25-11-12-26-19-23-5-3-4-6-24(23)20-30(26)29(25)18-22-9-15-28(32-2)16-10-22/h3-16,19-20H,17-18H2,1-2H3
InChIKeyLEMIDHWEEWUICU-UHFFFAOYSA-N
MW418.54 g/mol
LogP7.19
Rot. Bonds6

About 1,2-bis[(4-methoxyphenyl)methyl]anthracene

1,2-bis[(4-methoxyphenyl)methyl]anthracene (PubChem CID 174931223) has the molecular formula C30H26O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 1,2-bis[(4-methoxyphenyl)methyl]anthracene.

Molecular Properties

Compound Name1,2-bis[(4-methoxyphenyl)methyl]anthracene
PubChem CID174931223
Molecular FormulaC30H26O2
Molecular Weight418.54 g/mol
Exact Mass418.19
IUPAC Name1,2-bis[(4-methoxyphenyl)methyl]anthracene
SMILESCOc1ccc(Cc2ccc3cc4ccccc4cc3c2Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C30H26O2/c1-31-27-13-7-21(8-14-27)17-25-11-12-26-19-23-5-3-4-6-24(23)20-30(26)29(25)18-22-9-15-28(32-2)16-10-22/h3-16,19-20H,17-18H2,1-2H3
InChIKeyLEMIDHWEEWUICU-UHFFFAOYSA-N
XLogP7.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-dibenzyl-7-methoxynaphthalene
CID 174540478
1,2,3,4-tetrakis[(4-methoxyphenyl)methyl]benzene
CID 175327763
4-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylbenzene
CID 15654338
1,2-diethylanthracene
CID 19372429
methoxymethane;1-methoxy-4-[(4-methylphenyl)methyl]benzene;naphthalene
CID 90734985
[2-[(4-methoxyphenyl)methyl]phenyl]methylphosphane
CID 69335204
2-benzyl-1-methoxynaphthalene
CID 15617899
1-fluoro-2-[(4-methoxyphenyl)methyl]benzene
CID 57312860
(2-methoxyanthracen-1-yl)methanol
CID 102344428
ethane;1-[(4-methoxyphenyl)methyl]-2,4-dimethylbenzene
CID 143200250
2-methoxy-1,6-bis[(2-methoxynaphthalen-1-yl)methyl]naphthalene
CID 139095345
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(4-methoxyphenyl)methyl]anthracene?
The IUPAC name of 1,2-bis[(4-methoxyphenyl)methyl]anthracene (CID 174931223) is 1,2-bis[(4-methoxyphenyl)methyl]anthracene.
What is the SMILES notation for 1,2-bis[(4-methoxyphenyl)methyl]anthracene?
The canonical SMILES for 1,2-bis[(4-methoxyphenyl)methyl]anthracene is COc1ccc(Cc2ccc3cc4ccccc4cc3c2Cc2ccc(OC)cc2)cc1.
What is the InChIKey of 1,2-bis[(4-methoxyphenyl)methyl]anthracene?
The InChIKey is LEMIDHWEEWUICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O2/c1-31-27-13-7-21(8-14-27)17-25-11-12-26-19-23-5-3-4-6-24(23)20-30(26)29(25)18-22-9-15-28(32-2)16-10-22/h3-16,19-20H,17-18H2,1-2H3.
What are the key properties of 1,2-bis[(4-methoxyphenyl)methyl]anthracene?
1,2-bis[(4-methoxyphenyl)methyl]anthracene has a molecular weight of 418.54 g/mol, XLogP of 7.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(4-methoxyphenyl)methyl]anthracene is sourced from PubChem (CID 174931223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).