1-[(5Z,9Z,15Z)-4-(1-hydroxyethyl)-23,24-dihydro-22H-porphyrin-2-yl]ethanol

C24H24N4O2 — CID 173403372

IUPAC1-[(5Z,9Z,15Z)-4-(1-hydroxyethyl)-23,24-dihydro-22H-porphyrin-2-yl]ethanol
SMILESCC(O)C1=CC2(C(C)O)/C=c3/cc/c([nH]3)=C/c3ccc([nH]3)/C=c3/ccc([nH]3)=CC1=N2
InChIInChI=1S/C24H24N4O2/c1-14(29)22-13-24(15(2)30)12-21-8-7-19(27-21)10-17-4-3-16(25-17)9-18-5-6-20(26-18)11-23(22)28-24/h3-15,25-27,29-30H,1-2H3/b18-9-,19-10-,20-11?,21-12-
InChIKeyKSWYKTAZFCQQSW-HNNLJVQYSA-N
MW400.48 g/mol
LogP-0.22
Rot. Bonds2

About 1-[(5Z,9Z,15Z)-4-(1-hydroxyethyl)-23,24-dihydro-22H-porphyrin-2-yl]ethanol

1-[(5Z,9Z,15Z)-4-(1-hydroxyethyl)-23,24-dihydro-22H-porphyrin-2-yl]ethanol (PubChem CID 173403372) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-[(5Z,9Z,15Z)-4-(1-hydroxyethyl)-23,24-dihydro-22H-porphyrin-2-yl]ethanol.

Molecular Properties

Compound Name1-[(5Z,9Z,15Z)-4-(1-hydroxyethyl)-23,24-dihydro-22H-porphyrin-2-yl]ethanol
PubChem CID173403372
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name1-[(5Z,9Z,15Z)-4-(1-hydroxyethyl)-23,24-dihydro-22H-porphyrin-2-yl]ethanol
SMILESCC(O)C1=CC2(C(C)O)/C=c3/cc/c([nH]3)=C/c3ccc([nH]3)/C=c3/ccc([nH]3)=CC1=N2
InChIInChI=1S/C24H24N4O2/c1-14(29)22-13-24(15(2)30)12-21-8-7-19(27-21)10-17-4-3-16(25-17)9-18-5-6-20(26-18)11-23(22)28-24/h3-15,25-27,29-30H,1-2H3/b18-9-,19-10-,20-11?,21-12-
InChIKeyKSWYKTAZFCQQSW-HNNLJVQYSA-N
XLogP-0.22
TPSA100.19 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 5-0.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5Z,9Z,15Z)-4-(1-hydroxyethyl)-23,24-dihydro-22H-porphyrin-2-yl]ethanol?
The IUPAC name of 1-[(5Z,9Z,15Z)-4-(1-hydroxyethyl)-23,24-dihydro-22H-porphyrin-2-yl]ethanol (CID 173403372) is 1-[(5Z,9Z,15Z)-4-(1-hydroxyethyl)-23,24-dihydro-22H-porphyrin-2-yl]ethanol.
What is the SMILES notation for 1-[(5Z,9Z,15Z)-4-(1-hydroxyethyl)-23,24-dihydro-22H-porphyrin-2-yl]ethanol?
The canonical SMILES for 1-[(5Z,9Z,15Z)-4-(1-hydroxyethyl)-23,24-dihydro-22H-porphyrin-2-yl]ethanol is CC(O)C1=CC2(C(C)O)/C=c3/cc/c([nH]3)=C/c3ccc([nH]3)/C=c3/ccc([nH]3)=CC1=N2.
What is the InChIKey of 1-[(5Z,9Z,15Z)-4-(1-hydroxyethyl)-23,24-dihydro-22H-porphyrin-2-yl]ethanol?
The InChIKey is KSWYKTAZFCQQSW-HNNLJVQYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-14(29)22-13-24(15(2)30)12-21-8-7-19(27-21)10-17-4-3-16(25-17)9-18-5-6-20(26-18)11-23(22)28-24/h3-15,25-27,29-30H,1-2H3/b18-9-,19-10-,20-11?,21-12-.
What are the key properties of 1-[(5Z,9Z,15Z)-4-(1-hydroxyethyl)-23,24-dihydro-22H-porphyrin-2-yl]ethanol?
1-[(5Z,9Z,15Z)-4-(1-hydroxyethyl)-23,24-dihydro-22H-porphyrin-2-yl]ethanol has a molecular weight of 400.48 g/mol, XLogP of -0.22, 2 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5Z,9Z,15Z)-4-(1-hydroxyethyl)-23,24-dihydro-22H-porphyrin-2-yl]ethanol is sourced from PubChem (CID 173403372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).