3-[18-(3-hydroxypropyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propan-1-ol

C30H34N4O2 — CID 635491

IUPAC3-[18-(3-hydroxypropyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propan-1-ol
SMILESCC1=C(CCCO)c2cc3nc(cc4[nH]c(cc4C)cc4[nH]c(cc1n2)cc4C)C(C)=C3CCCO
InChIInChI=1S/C30H34N4O2/c1-17-11-22-14-27-19(3)23(7-5-9-35)29(33-27)16-30-24(8-6-10-36)20(4)28(34-30)15-26-18(2)12-21(32-26)13-25(17)31-22/h11-16,31-32,35-36H,5-10H2,1-4H3/b21-13-,22-14-,25-13-,26-15-,27-14-,28-15-,29-16-,30-16-
InChIKeyQQWNRTKISWSMDC-RWJCOFQGSA-N
MW482.63 g/mol
LogP6.34
Rot. Bonds6

About 3-[18-(3-hydroxypropyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propan-1-ol

3-[18-(3-hydroxypropyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propan-1-ol (PubChem CID 635491) has the molecular formula C30H34N4O2 and a molecular weight of 482.63 g/mol. Its IUPAC name is 3-[18-(3-hydroxypropyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[18-(3-hydroxypropyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propan-1-ol
PubChem CID635491
Molecular FormulaC30H34N4O2
Molecular Weight482.63 g/mol
Exact Mass482.27
IUPAC Name3-[18-(3-hydroxypropyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propan-1-ol
SMILESCC1=C(CCCO)c2cc3nc(cc4[nH]c(cc4C)cc4[nH]c(cc1n2)cc4C)C(C)=C3CCCO
InChIInChI=1S/C30H34N4O2/c1-17-11-22-14-27-19(3)23(7-5-9-35)29(33-27)16-30-24(8-6-10-36)20(4)28(34-30)15-26-18(2)12-21(32-26)13-25(17)31-22/h11-16,31-32,35-36H,5-10H2,1-4H3/b21-13-,22-14-,25-13-,26-15-,27-14-,28-15-,29-16-,30-16-
InChIKeyQQWNRTKISWSMDC-RWJCOFQGSA-N
XLogP6.34
TPSA97.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 56.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-[18-(3-hydroxypropyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propan-1-ol with MolForge

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Related Compounds

protoporphyrin IX
CID 4971
Protoporphyrin disodium
CID 71484
3-[18-(2-carboxylatoethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-23H-porphyrin-21-id-2-yl]propanoate;iron(3+);hydrochloride
CID 53627695
Deuteroporphyrin
CID 67973
Coproporphyrin III
CID 114935
Coproporphyrin III tetramethyl ester
CID 111075
21H,23H-Porphine-2,18-dipropanoic acid, 3,7,12,17-tetramethyl-, 2,18-dimethyl ester
CID 95097
3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-23H-porphyrin-21-id-2-yl]propanoate;iron(3+)
CID 131664198
3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-23H-porphyrin-21-id-2-yl]propanoic acid;iron;hydrochloride
CID 131675604
3,8,13,18-tetramethyl-2,7,12,17-Porphinetetrapropionate
CID 145994596
Protoporphyrin(2-)
CID 3794562
Mesoporphyrin IX
CID 72422

Frequently Asked Questions

What is the IUPAC name of 3-[18-(3-hydroxypropyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propan-1-ol?
The IUPAC name of 3-[18-(3-hydroxypropyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propan-1-ol (CID 635491) is 3-[18-(3-hydroxypropyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[18-(3-hydroxypropyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propan-1-ol?
The canonical SMILES for 3-[18-(3-hydroxypropyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propan-1-ol is CC1=C(CCCO)c2cc3nc(cc4[nH]c(cc4C)cc4[nH]c(cc1n2)cc4C)C(C)=C3CCCO.
What is the InChIKey of 3-[18-(3-hydroxypropyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propan-1-ol?
The InChIKey is QQWNRTKISWSMDC-RWJCOFQGSA-N. The full InChI is InChI=1S/C30H34N4O2/c1-17-11-22-14-27-19(3)23(7-5-9-35)29(33-27)16-30-24(8-6-10-36)20(4)28(34-30)15-26-18(2)12-21(32-26)13-25(17)31-22/h11-16,31-32,35-36H,5-10H2,1-4H3/b21-13-,22-14-,25-13-,26-15-,27-14-,28-15-,29-16-,30-16-.
What are the key properties of 3-[18-(3-hydroxypropyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propan-1-ol?
3-[18-(3-hydroxypropyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propan-1-ol has a molecular weight of 482.63 g/mol, XLogP of 6.34, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[18-(3-hydroxypropyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propan-1-ol is sourced from PubChem (CID 635491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).