(2R)-3-[[3-[4-(4-hydroxyphenyl)phenyl]-7-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]oxy]propane-1,2-diol

C26H24N2O5 — CID 135616966

IUPAC(2R)-3-[[3-[4-(4-hydroxyphenyl)phenyl]-7-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]oxy]propane-1,2-diol
SMILESCOc1cc2c(cc1OC[C@H](O)CO)Cc1c(-c3ccc(-c4ccc(O)cc4)cc3)n[nH]c1-2
InChIInChI=1S/C26H24N2O5/c1-32-23-12-21-18(11-24(23)33-14-20(31)13-29)10-22-25(27-28-26(21)22)17-4-2-15(3-5-17)16-6-8-19(30)9-7-16/h2-9,11-12,20,29-31H,10,13-14H2,1H3,(H,27,28)/t20-/m1/s1
InChIKeyPRDQUWAZRMHOPI-HXUWFJFHSA-N
MW444.49 g/mol
LogP3.76
Rot. Bonds7

About (2R)-3-[[3-[4-(4-hydroxyphenyl)phenyl]-7-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]oxy]propane-1,2-diol

(2R)-3-[[3-[4-(4-hydroxyphenyl)phenyl]-7-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]oxy]propane-1,2-diol (PubChem CID 135616966) has the molecular formula C26H24N2O5 and a molecular weight of 444.49 g/mol. Its IUPAC name is (2R)-3-[[3-[4-(4-hydroxyphenyl)phenyl]-7-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]oxy]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[[3-[4-(4-hydroxyphenyl)phenyl]-7-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]oxy]propane-1,2-diol
PubChem CID135616966
Molecular FormulaC26H24N2O5
Molecular Weight444.49 g/mol
Exact Mass444.17
IUPAC Name(2R)-3-[[3-[4-(4-hydroxyphenyl)phenyl]-7-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]oxy]propane-1,2-diol
SMILESCOc1cc2c(cc1OC[C@H](O)CO)Cc1c(-c3ccc(-c4ccc(O)cc4)cc3)n[nH]c1-2
InChIInChI=1S/C26H24N2O5/c1-32-23-12-21-18(11-24(23)33-14-20(31)13-29)10-22-25(27-28-26(21)22)17-4-2-15(3-5-17)16-6-8-19(30)9-7-16/h2-9,11-12,20,29-31H,10,13-14H2,1H3,(H,27,28)/t20-/m1/s1
InChIKeyPRDQUWAZRMHOPI-HXUWFJFHSA-N
XLogP3.76
TPSA107.83 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 53.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-[[3-[4-(4-hydroxyphenyl)phenyl]-7-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]oxy]propane-1,2-diol?
The IUPAC name of (2R)-3-[[3-[4-(4-hydroxyphenyl)phenyl]-7-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]oxy]propane-1,2-diol (CID 135616966) is (2R)-3-[[3-[4-(4-hydroxyphenyl)phenyl]-7-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]oxy]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[[3-[4-(4-hydroxyphenyl)phenyl]-7-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]oxy]propane-1,2-diol?
The canonical SMILES for (2R)-3-[[3-[4-(4-hydroxyphenyl)phenyl]-7-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]oxy]propane-1,2-diol is COc1cc2c(cc1OC[C@H](O)CO)Cc1c(-c3ccc(-c4ccc(O)cc4)cc3)n[nH]c1-2.
What is the InChIKey of (2R)-3-[[3-[4-(4-hydroxyphenyl)phenyl]-7-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]oxy]propane-1,2-diol?
The InChIKey is PRDQUWAZRMHOPI-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H24N2O5/c1-32-23-12-21-18(11-24(23)33-14-20(31)13-29)10-22-25(27-28-26(21)22)17-4-2-15(3-5-17)16-6-8-19(30)9-7-16/h2-9,11-12,20,29-31H,10,13-14H2,1H3,(H,27,28)/t20-/m1/s1.
What are the key properties of (2R)-3-[[3-[4-(4-hydroxyphenyl)phenyl]-7-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]oxy]propane-1,2-diol?
(2R)-3-[[3-[4-(4-hydroxyphenyl)phenyl]-7-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]oxy]propane-1,2-diol has a molecular weight of 444.49 g/mol, XLogP of 3.76, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[[3-[4-(4-hydroxyphenyl)phenyl]-7-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]oxy]propane-1,2-diol is sourced from PubChem (CID 135616966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).