6,7,8,9,22,24-hexahydroporphyrin-2-ol

C20H18N4O — CID 150231789

IUPAC6,7,8,9,22,24-hexahydroporphyrin-2-ol
SMILESOC1=CC2=CC3CCC(C=C4C=CC(=N4)C=c4ccc([nH]4)=CC1=N2)N3
InChIInChI=1S/C20H18N4O/c25-20-11-18-9-16-4-3-14(22-16)7-12-1-2-13(21-12)8-15-5-6-17(23-15)10-19(20)24-18/h1-2,5-11,14,16,22-23,25H,3-4H2
InChIKeyFVQHLSCGOYPWGO-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.38
Rot. Bonds

About 6,7,8,9,22,24-hexahydroporphyrin-2-ol

6,7,8,9,22,24-hexahydroporphyrin-2-ol (PubChem CID 150231789) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 6,7,8,9,22,24-hexahydroporphyrin-2-ol.

Molecular Properties

Compound Name6,7,8,9,22,24-hexahydroporphyrin-2-ol
PubChem CID150231789
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name6,7,8,9,22,24-hexahydroporphyrin-2-ol
SMILESOC1=CC2=CC3CCC(C=C4C=CC(=N4)C=c4ccc([nH]4)=CC1=N2)N3
InChIInChI=1S/C20H18N4O/c25-20-11-18-9-16-4-3-14(22-16)7-12-1-2-13(21-12)8-15-5-6-17(23-15)10-19(20)24-18/h1-2,5-11,14,16,22-23,25H,3-4H2
InChIKeyFVQHLSCGOYPWGO-UHFFFAOYSA-N
XLogP1.38
TPSA72.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,4S)-1,2,3,4,21,23-hexahydroporphyrin
CID 91614379
1,2,3,4,5,6,7,8,9,21,22,23-dodecahydroporphyrin
CID 66595308
5-chloro-1,2,3,4,21,23-hexahydroporphyrin
CID 67151943
1,2,21,23-tetrahydroporphyrin
CID 66788511
(5Z,10Z,14Z,19Z)-1,2,21,23-tetrahydroporphyrin;hydrate
CID 141327229
21,22-dihydro-1H-porphyrin-2-one;titanium
CID 174981692
21,22-dihydro-1H-porphyrin-2-thione;samarium;zinc
CID 174770463
21,22-dihydro-1H-porphyrin-2-one;platinum
CID 173314359
1,8,11,23,27,28,30-heptazahexacyclo[21.2.1.13,6.18,11.113,16.118,21]triaconta-2,4,6,9,12,14,16,18(27),19,21,24-undecaene
CID 91057941
(23S)-29,30,31,32-tetrazaheptacyclo[20.6.1.13,10.112,15.117,20.04,9.023,28]dotriaconta-1(28),2,4,6,8,10(32),11,13,15,17(30),18,20,24,26-tetradecaene
CID 87268809
(5Z,9Z)-4,21,22,23-tetrahydro-3H-corrin
CID 163561716
22-pyridin-2-yl-21,23-dihydro-5H-porphyrin
CID 174453514

Frequently Asked Questions

What is the IUPAC name of 6,7,8,9,22,24-hexahydroporphyrin-2-ol?
The IUPAC name of 6,7,8,9,22,24-hexahydroporphyrin-2-ol (CID 150231789) is 6,7,8,9,22,24-hexahydroporphyrin-2-ol.
What is the SMILES notation for 6,7,8,9,22,24-hexahydroporphyrin-2-ol?
The canonical SMILES for 6,7,8,9,22,24-hexahydroporphyrin-2-ol is OC1=CC2=CC3CCC(C=C4C=CC(=N4)C=c4ccc([nH]4)=CC1=N2)N3.
What is the InChIKey of 6,7,8,9,22,24-hexahydroporphyrin-2-ol?
The InChIKey is FVQHLSCGOYPWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c25-20-11-18-9-16-4-3-14(22-16)7-12-1-2-13(21-12)8-15-5-6-17(23-15)10-19(20)24-18/h1-2,5-11,14,16,22-23,25H,3-4H2.
What are the key properties of 6,7,8,9,22,24-hexahydroporphyrin-2-ol?
6,7,8,9,22,24-hexahydroporphyrin-2-ol has a molecular weight of 330.39 g/mol, XLogP of 1.38, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9,22,24-hexahydroporphyrin-2-ol is sourced from PubChem (CID 150231789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).