2-methoxy-21,22-dihydroporphyrin

C21H16N4O — CID 66699316

IUPAC2-methoxy-21,22-dihydroporphyrin
SMILESCOc1cc2cc3ccc(cc4nc(cc5nc(cc1[nH]2)C=C5)C=C4)[nH]3
InChIInChI=1S/C21H16N4O/c1-26-21-12-19-10-17-5-4-15(23-17)8-13-2-3-14(22-13)9-16-6-7-18(24-16)11-20(21)25-19/h2-12,23,25H,1H3/b13-8-,14-9-,15-8-,16-9-,17-10-,18-11-,19-10-,20-11-
InChIKeyQBDMKUCHYXMDMF-HORAPOCDSA-N
MW340.39 g/mol
LogP4.66
Rot. Bonds1

About 2-methoxy-21,22-dihydroporphyrin

2-methoxy-21,22-dihydroporphyrin (PubChem CID 66699316) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is 2-methoxy-21,22-dihydroporphyrin.

Molecular Properties

Compound Name2-methoxy-21,22-dihydroporphyrin
PubChem CID66699316
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC Name2-methoxy-21,22-dihydroporphyrin
SMILESCOc1cc2cc3ccc(cc4nc(cc5nc(cc1[nH]2)C=C5)C=C4)[nH]3
InChIInChI=1S/C21H16N4O/c1-26-21-12-19-10-17-5-4-15(23-17)8-13-2-3-14(22-13)9-16-6-7-18(24-16)11-20(21)25-19/h2-12,23,25H,1H3/b13-8-,14-9-,15-8-,16-9-,17-10-,18-11-,19-10-,20-11-
InChIKeyQBDMKUCHYXMDMF-HORAPOCDSA-N
XLogP4.66
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5,15-bis-(3-Methoxy-phenyl)-porphyrin
CID 135503060
(2E)-3-methoxy-2-[[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-5-(1H-pyrrol-2-yl)pyrrole
CID 135762094
5-(3-Methoxyphenyl)-15-phenyl-21,23-dihydroporphyrin
CID 135438562
(2Z)-3-methoxy-2-[[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-5-(1H-pyrrol-2-yl)pyrrole
CID 135934867
Purple pigment
CID 135846969
5-(3-Methoxyphenyl)-21,22-dihydroporphyrin
CID 137628943
5-(4-Methoxyphenyl)-21,22-dihydroporphyrin
CID 137628944
CID 163044165
CID 163044165
Trifluoroacetoxyporphyrin
CID 129790189
5-Trifluoroacetoxyporphyrin
CID 129859640
10-Methoxy-3,3,13,13-tetramethyl-7,17-bis(4-methylphenyl)-2,12,22,24-tetrahydroporphyrin
CID 11467331
m-Methoxyphenylporphyrin
CID 22228531

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-21,22-dihydroporphyrin?
The IUPAC name of 2-methoxy-21,22-dihydroporphyrin (CID 66699316) is 2-methoxy-21,22-dihydroporphyrin.
What is the SMILES notation for 2-methoxy-21,22-dihydroporphyrin?
The canonical SMILES for 2-methoxy-21,22-dihydroporphyrin is COc1cc2cc3ccc(cc4nc(cc5nc(cc1[nH]2)C=C5)C=C4)[nH]3.
What is the InChIKey of 2-methoxy-21,22-dihydroporphyrin?
The InChIKey is QBDMKUCHYXMDMF-HORAPOCDSA-N. The full InChI is InChI=1S/C21H16N4O/c1-26-21-12-19-10-17-5-4-15(23-17)8-13-2-3-14(22-13)9-16-6-7-18(24-16)11-20(21)25-19/h2-12,23,25H,1H3/b13-8-,14-9-,15-8-,16-9-,17-10-,18-11-,19-10-,20-11-.
What are the key properties of 2-methoxy-21,22-dihydroporphyrin?
2-methoxy-21,22-dihydroporphyrin has a molecular weight of 340.39 g/mol, XLogP of 4.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-21,22-dihydroporphyrin is sourced from PubChem (CID 66699316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).