6-methoxy-2-methyltriphenylene

C20H16O — CID 118912123

IUPAC6-methoxy-2-methyltriphenylene
SMILESCOc1ccc2c3ccccc3c3cc(C)ccc3c2c1
InChIInChI=1S/C20H16O/c1-13-7-9-18-19(11-13)16-6-4-3-5-15(16)17-10-8-14(21-2)12-20(17)18/h3-12H,1-2H3
InChIKeyANFJBVDGCXTUAT-UHFFFAOYSA-N
MW272.35 g/mol
LogP5.46
Rot. Bonds1

About 6-methoxy-2-methyltriphenylene

6-methoxy-2-methyltriphenylene (PubChem CID 118912123) has the molecular formula C20H16O and a molecular weight of 272.35 g/mol. Its IUPAC name is 6-methoxy-2-methyltriphenylene.

Molecular Properties

Compound Name6-methoxy-2-methyltriphenylene
PubChem CID118912123
Molecular FormulaC20H16O
Molecular Weight272.35 g/mol
Exact Mass272.12
IUPAC Name6-methoxy-2-methyltriphenylene
SMILESCOc1ccc2c3ccccc3c3cc(C)ccc3c2c1
InChIInChI=1S/C20H16O/c1-13-7-9-18-19(11-13)16-6-4-3-5-15(16)17-10-8-14(21-2)12-20(17)18/h3-12H,1-2H3
InChIKeyANFJBVDGCXTUAT-UHFFFAOYSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.35
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Nabumetone
CID 4409
2-Methoxynaphthalene
CID 7119
2-Ethoxynaphthalene
CID 7129
1-Methoxynaphthalene
CID 16668
2-(2-Methylpropoxy)naphthalene
CID 16582
1,4-Dimethoxyanthracene
CID 83107
Benzyl 2-naphthyl ether
CID 123080
6-Methoxytetralin
CID 74414
1,1'-(Phenylmethylene)bis(4-methoxybenzene)
CID 82012
Butyl beta-naphthyl ether
CID 82664
2,2'-Dimethoxy-1,1'-binaphthyl
CID 235616
2,7-Dimethoxynaphthalene
CID 77021

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyltriphenylene?
The IUPAC name of 6-methoxy-2-methyltriphenylene (CID 118912123) is 6-methoxy-2-methyltriphenylene.
What is the SMILES notation for 6-methoxy-2-methyltriphenylene?
The canonical SMILES for 6-methoxy-2-methyltriphenylene is COc1ccc2c3ccccc3c3cc(C)ccc3c2c1.
What is the InChIKey of 6-methoxy-2-methyltriphenylene?
The InChIKey is ANFJBVDGCXTUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O/c1-13-7-9-18-19(11-13)16-6-4-3-5-15(16)17-10-8-14(21-2)12-20(17)18/h3-12H,1-2H3.
What are the key properties of 6-methoxy-2-methyltriphenylene?
6-methoxy-2-methyltriphenylene has a molecular weight of 272.35 g/mol, XLogP of 5.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyltriphenylene is sourced from PubChem (CID 118912123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).