2-[15-(2-hydroxyethyl)-5,10,10,15,20,20-hexamethyl-21,22,23,24-tetrahydroporphyrin-5-yl]ethanol

C30H40N4O2 — CID 135013349

IUPAC2-[15-(2-hydroxyethyl)-5,10,10,15,20,20-hexamethyl-21,22,23,24-tetrahydroporphyrin-5-yl]ethanol
SMILESCC1(C)c2ccc([nH]2)C(C)(CCO)c2ccc([nH]2)C(C)(C)c2ccc([nH]2)C(C)(CCO)c2ccc1[nH]2
InChIInChI=1S/C30H40N4O2/c1-27(2)19-7-11-23(31-19)29(5,15-17-35)25-13-9-21(33-25)28(3,4)22-10-14-26(34-22)30(6,16-18-36)24-12-8-20(27)32-24/h7-14,31-36H,15-18H2,1-6H3
InChIKeyVYHABBPKTCBNKX-UHFFFAOYSA-N
MW488.68 g/mol
LogP5.34
Rot. Bonds4

About 2-[15-(2-hydroxyethyl)-5,10,10,15,20,20-hexamethyl-21,22,23,24-tetrahydroporphyrin-5-yl]ethanol

2-[15-(2-hydroxyethyl)-5,10,10,15,20,20-hexamethyl-21,22,23,24-tetrahydroporphyrin-5-yl]ethanol (PubChem CID 135013349) has the molecular formula C30H40N4O2 and a molecular weight of 488.68 g/mol. Its IUPAC name is 2-[15-(2-hydroxyethyl)-5,10,10,15,20,20-hexamethyl-21,22,23,24-tetrahydroporphyrin-5-yl]ethanol.

Molecular Properties

Compound Name2-[15-(2-hydroxyethyl)-5,10,10,15,20,20-hexamethyl-21,22,23,24-tetrahydroporphyrin-5-yl]ethanol
PubChem CID135013349
Molecular FormulaC30H40N4O2
Molecular Weight488.68 g/mol
Exact Mass488.32
IUPAC Name2-[15-(2-hydroxyethyl)-5,10,10,15,20,20-hexamethyl-21,22,23,24-tetrahydroporphyrin-5-yl]ethanol
SMILESCC1(C)c2ccc([nH]2)C(C)(CCO)c2ccc([nH]2)C(C)(C)c2ccc([nH]2)C(C)(CCO)c2ccc1[nH]2
InChIInChI=1S/C30H40N4O2/c1-27(2)19-7-11-23(31-19)29(5,15-17-35)25-13-9-21(33-25)28(3,4)22-10-14-26(34-22)30(6,16-18-36)24-12-8-20(27)32-24/h7-14,31-36H,15-18H2,1-6H3
InChIKeyVYHABBPKTCBNKX-UHFFFAOYSA-N
XLogP5.34
TPSA103.62 Ų
H-Bond Donors6
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500488.68
LogP ≤ 55.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[15-(2-hydroxyethyl)-5,10,10,15,20,20-hexamethyl-21,22,23,24-tetrahydroporphyrin-5-yl]ethanol?
The IUPAC name of 2-[15-(2-hydroxyethyl)-5,10,10,15,20,20-hexamethyl-21,22,23,24-tetrahydroporphyrin-5-yl]ethanol (CID 135013349) is 2-[15-(2-hydroxyethyl)-5,10,10,15,20,20-hexamethyl-21,22,23,24-tetrahydroporphyrin-5-yl]ethanol.
What is the SMILES notation for 2-[15-(2-hydroxyethyl)-5,10,10,15,20,20-hexamethyl-21,22,23,24-tetrahydroporphyrin-5-yl]ethanol?
The canonical SMILES for 2-[15-(2-hydroxyethyl)-5,10,10,15,20,20-hexamethyl-21,22,23,24-tetrahydroporphyrin-5-yl]ethanol is CC1(C)c2ccc([nH]2)C(C)(CCO)c2ccc([nH]2)C(C)(C)c2ccc([nH]2)C(C)(CCO)c2ccc1[nH]2.
What is the InChIKey of 2-[15-(2-hydroxyethyl)-5,10,10,15,20,20-hexamethyl-21,22,23,24-tetrahydroporphyrin-5-yl]ethanol?
The InChIKey is VYHABBPKTCBNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4O2/c1-27(2)19-7-11-23(31-19)29(5,15-17-35)25-13-9-21(33-25)28(3,4)22-10-14-26(34-22)30(6,16-18-36)24-12-8-20(27)32-24/h7-14,31-36H,15-18H2,1-6H3.
What are the key properties of 2-[15-(2-hydroxyethyl)-5,10,10,15,20,20-hexamethyl-21,22,23,24-tetrahydroporphyrin-5-yl]ethanol?
2-[15-(2-hydroxyethyl)-5,10,10,15,20,20-hexamethyl-21,22,23,24-tetrahydroporphyrin-5-yl]ethanol has a molecular weight of 488.68 g/mol, XLogP of 5.34, 4 rotatable bonds, 6 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[15-(2-hydroxyethyl)-5,10,10,15,20,20-hexamethyl-21,22,23,24-tetrahydroporphyrin-5-yl]ethanol is sourced from PubChem (CID 135013349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).