15-methoxy-21,22-dihydroporphyrin

C21H16N4O — CID 66699313

IUPAC15-methoxy-21,22-dihydroporphyrin
SMILESCOc1c2nc(cc3ccc(cc4ccc(cc5nc1C=C5)[nH]4)[nH]3)C=C2
InChIInChI=1S/C21H16N4O/c1-26-21-19-8-6-17(24-19)11-15-4-2-13(22-15)10-14-3-5-16(23-14)12-18-7-9-20(21)25-18/h2-12,22-23H,1H3/b13-10-,14-10-,15-11-,16-12-,17-11-,18-12-,21-19+,21-20+
InChIKeyROBSBHSWIXGKOL-YJHYENFXSA-N
MW340.39 g/mol
LogP4.66
Rot. Bonds1

About 15-methoxy-21,22-dihydroporphyrin

15-methoxy-21,22-dihydroporphyrin (PubChem CID 66699313) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is 15-methoxy-21,22-dihydroporphyrin.

Molecular Properties

Compound Name15-methoxy-21,22-dihydroporphyrin
PubChem CID66699313
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC Name15-methoxy-21,22-dihydroporphyrin
SMILESCOc1c2nc(cc3ccc(cc4ccc(cc5nc1C=C5)[nH]4)[nH]3)C=C2
InChIInChI=1S/C21H16N4O/c1-26-21-19-8-6-17(24-19)11-15-4-2-13(22-15)10-14-3-5-16(23-14)12-18-7-9-20(21)25-18/h2-12,22-23H,1H3/b13-10-,14-10-,15-11-,16-12-,17-11-,18-12-,21-19+,21-20+
InChIKeyROBSBHSWIXGKOL-YJHYENFXSA-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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Frequently Asked Questions

What is the IUPAC name of 15-methoxy-21,22-dihydroporphyrin?
The IUPAC name of 15-methoxy-21,22-dihydroporphyrin (CID 66699313) is 15-methoxy-21,22-dihydroporphyrin.
What is the SMILES notation for 15-methoxy-21,22-dihydroporphyrin?
The canonical SMILES for 15-methoxy-21,22-dihydroporphyrin is COc1c2nc(cc3ccc(cc4ccc(cc5nc1C=C5)[nH]4)[nH]3)C=C2.
What is the InChIKey of 15-methoxy-21,22-dihydroporphyrin?
The InChIKey is ROBSBHSWIXGKOL-YJHYENFXSA-N. The full InChI is InChI=1S/C21H16N4O/c1-26-21-19-8-6-17(24-19)11-15-4-2-13(22-15)10-14-3-5-16(23-14)12-18-7-9-20(21)25-18/h2-12,22-23H,1H3/b13-10-,14-10-,15-11-,16-12-,17-11-,18-12-,21-19+,21-20+.
What are the key properties of 15-methoxy-21,22-dihydroporphyrin?
15-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 15-methoxy-21,22-dihydroporphyrin is sourced from PubChem (CID 66699313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).