2-(10,20-dimethylporphyrin-5-yl)benzene-1,4-diol

C₂₈H₂₀N₄O₂ — CID 135999448

About 2-(10,20-dimethylporphyrin-5-yl)benzene-1,4-diol

2-(10,20-dimethylporphyrin-5-yl)benzene-1,4-diol (PubChem CID 135999448) has the molecular formula C₂₈H₂₀N₄O₂ and a molecular weight of 444.49 g/mol. Its IUPAC name is 2-(10,20-dimethylporphyrin-5-yl)benzene-1,4-diol.

Molecular Properties

• Compound Name: 2-(10,20-dimethylporphyrin-5-yl)benzene-1,4-diol
• PubChem CID: 135999448
• Molecular Formula: C₂₈H₂₀N₄O₂
• Molecular Weight: 444.49 g/mol
• Exact Mass: 444.16
• IUPAC Name: 2-(10,20-dimethylporphyrin-5-yl)benzene-1,4-diol
• SMILES: C/C1=C2\C=CC(=N2)/C=C2/C=CC(=N2)/C(C)=C2/C=CC(=N2)/C(c2cc(O)ccc2O)=C2/C=CC1=N2
• InChI: InChI=1S/C28H20N4O2/c1-15-21-6-3-17(29-21)13-18-4-7-22(30-18)16(2)24-9-11-26(32-24)28(25-10-8-23(15)31-25)20-14-19(33)5-12-27(20)34/h3-14,33-34H,1-2H3/b17-13-,18-13-,21-15-,22-16-,23-15-,24-16-,28-25-,28-26-
• InChIKey: RHLVVXBLSFUFSM-JIJICUDPSA-N
• XLogP: 5.30
• TPSA: 89.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 1
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.49
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(10,20-dimethylporphyrin-5-yl)benzene-1,4-diol?

The IUPAC name of 2-(10,20-dimethylporphyrin-5-yl)benzene-1,4-diol (CID 135999448) is 2-(10,20-dimethylporphyrin-5-yl)benzene-1,4-diol.

What is the SMILES notation for 2-(10,20-dimethylporphyrin-5-yl)benzene-1,4-diol?

The canonical SMILES for 2-(10,20-dimethylporphyrin-5-yl)benzene-1,4-diol is C/C1=C2\C=CC(=N2)/C=C2/C=CC(=N2)/C(C)=C2/C=CC(=N2)/C(c2cc(O)ccc2O)=C2/C=CC1=N2.

What is the InChIKey of 2-(10,20-dimethylporphyrin-5-yl)benzene-1,4-diol?

The InChIKey is RHLVVXBLSFUFSM-JIJICUDPSA-N. The full InChI is InChI=1S/C28H20N4O2/c1-15-21-6-3-17(29-21)13-18-4-7-22(30-18)16(2)24-9-11-26(32-24)28(25-10-8-23(15)31-25)20-14-19(33)5-12-27(20)34/h3-14,33-34H,1-2H3/b17-13-,18-13-,21-15-,22-16-,23-15-,24-16-,28-25-,28-26-.

What are the key properties of 2-(10,20-dimethylporphyrin-5-yl)benzene-1,4-diol?

2-(10,20-dimethylporphyrin-5-yl)benzene-1,4-diol has a molecular weight of 444.49 g/mol, XLogP of 5.30, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(10,20-dimethylporphyrin-5-yl)benzene-1,4-diol is sourced from PubChem (CID 135999448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135999448 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.