9H-carbazol-4-ol;1-(9H-carbazol-1-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;5-(9H-carbazol-1-yloxymethyl)-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;[3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidin-5-yl]methanol

C76H80N6O13 — CID 160888991

IUPAC9H-carbazol-4-ol;1-(9H-carbazol-1-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;5-(9H-carbazol-1-yloxymethyl)-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;[3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidin-5-yl]methanol
SMILESC=C1OC(CO)CN1CCOc1ccccc1OC.C=C1OC(COc2cccc3c2[nH]c2ccccc23)CN1CCOc1ccccc1OC.COc1ccccc1OCCNCC(O)COc1cccc2c1[nH]c1ccccc12.Oc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C26H26N2O4.C24H26N2O4.C14H19NO4.C12H9NO/c1-18-28(14-15-30-24-12-6-5-11-23(24)29-2)16-19(32-18)17-31-25-13-7-9-21-20-8-3-4-10-22(20)27-26(21)25;1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-8-19-18-7-2-3-9-20(18)26-24(19)23;1-11-15(9-12(10-16)19-11)7-8-18-14-6-4-3-5-13(14)17-2;14-11-7-3-6-10-12(11)8-4-1-2-5-9(8)13-10/h3-13,19,27H,1,14-17H2,2H3;2-12,17,25-27H,13-16H2,1H3;3-6,12,16H,1,7-10H2,2H3;1-7,13-14H
InChIKeySNZXNHXSYTZNJW-UHFFFAOYSA-N
MW1285.50 g/mol
LogP12.96
Rot. Bonds24

About 9H-carbazol-4-ol;1-(9H-carbazol-1-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;5-(9H-carbazol-1-yloxymethyl)-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;[3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidin-5-yl]methanol

9H-carbazol-4-ol;1-(9H-carbazol-1-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;5-(9H-carbazol-1-yloxymethyl)-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;[3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidin-5-yl]methanol (PubChem CID 160888991) has the molecular formula C76H80N6O13 and a molecular weight of 1285.50 g/mol. Its IUPAC name is 9H-carbazol-4-ol;1-(9H-carbazol-1-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;5-(9H-carbazol-1-yloxymethyl)-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;[3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidin-5-yl]methanol.

Molecular Properties

Compound Name9H-carbazol-4-ol;1-(9H-carbazol-1-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;5-(9H-carbazol-1-yloxymethyl)-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;[3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidin-5-yl]methanol
PubChem CID160888991
Molecular FormulaC76H80N6O13
Molecular Weight1285.50 g/mol
Exact Mass1284.58
IUPAC Name9H-carbazol-4-ol;1-(9H-carbazol-1-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;5-(9H-carbazol-1-yloxymethyl)-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;[3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidin-5-yl]methanol
SMILESC=C1OC(CO)CN1CCOc1ccccc1OC.C=C1OC(COc2cccc3c2[nH]c2ccccc23)CN1CCOc1ccccc1OC.COc1ccccc1OCCNCC(O)COc1cccc2c1[nH]c1ccccc12.Oc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C26H26N2O4.C24H26N2O4.C14H19NO4.C12H9NO/c1-18-28(14-15-30-24-12-6-5-11-23(24)29-2)16-19(32-18)17-31-25-13-7-9-21-20-8-3-4-10-22(20)27-26(21)25;1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-8-19-18-7-2-3-9-20(18)26-24(19)23;1-11-15(9-12(10-16)19-11)7-8-18-14-6-4-3-5-13(14)17-2;14-11-7-3-6-10-12(11)8-4-1-2-5-9(8)13-10/h3-13,19,27H,1,14-17H2,2H3;2-12,17,25-27H,13-16H2,1H3;3-6,12,16H,1,7-10H2,2H3;1-7,13-14H
InChIKeySNZXNHXSYTZNJW-UHFFFAOYSA-N
XLogP12.96
TPSA218.87 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001285.50
LogP ≤ 512.96
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 9H-carbazol-4-ol;1-(9H-carbazol-1-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;5-(9H-carbazol-1-yloxymethyl)-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;[3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidin-5-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9H-carbazol-4-ol;1-(9H-carbazol-1-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;5-(9H-carbazol-1-yloxymethyl)-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;[3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidin-5-yl]methanol?
The IUPAC name of 9H-carbazol-4-ol;1-(9H-carbazol-1-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;5-(9H-carbazol-1-yloxymethyl)-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;[3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidin-5-yl]methanol (CID 160888991) is 9H-carbazol-4-ol;1-(9H-carbazol-1-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;5-(9H-carbazol-1-yloxymethyl)-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;[3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidin-5-yl]methanol.
What is the SMILES notation for 9H-carbazol-4-ol;1-(9H-carbazol-1-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;5-(9H-carbazol-1-yloxymethyl)-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;[3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidin-5-yl]methanol?
The canonical SMILES for 9H-carbazol-4-ol;1-(9H-carbazol-1-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;5-(9H-carbazol-1-yloxymethyl)-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;[3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidin-5-yl]methanol is C=C1OC(CO)CN1CCOc1ccccc1OC.C=C1OC(COc2cccc3c2[nH]c2ccccc23)CN1CCOc1ccccc1OC.COc1ccccc1OCCNCC(O)COc1cccc2c1[nH]c1ccccc12.Oc1cccc2[nH]c3ccccc3c12.
What is the InChIKey of 9H-carbazol-4-ol;1-(9H-carbazol-1-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;5-(9H-carbazol-1-yloxymethyl)-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;[3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidin-5-yl]methanol?
The InChIKey is SNZXNHXSYTZNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4.C24H26N2O4.C14H19NO4.C12H9NO/c1-18-28(14-15-30-24-12-6-5-11-23(24)29-2)16-19(32-18)17-31-25-13-7-9-21-20-8-3-4-10-22(20)27-26(21)25;1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-8-19-18-7-2-3-9-20(18)26-24(19)23;1-11-15(9-12(10-16)19-11)7-8-18-14-6-4-3-5-13(14)17-2;14-11-7-3-6-10-12(11)8-4-1-2-5-9(8)13-10/h3-13,19,27H,1,14-17H2,2H3;2-12,17,25-27H,13-16H2,1H3;3-6,12,16H,1,7-10H2,2H3;1-7,13-14H.
What are the key properties of 9H-carbazol-4-ol;1-(9H-carbazol-1-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;5-(9H-carbazol-1-yloxymethyl)-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;[3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidin-5-yl]methanol?
9H-carbazol-4-ol;1-(9H-carbazol-1-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;5-(9H-carbazol-1-yloxymethyl)-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;[3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidin-5-yl]methanol has a molecular weight of 1285.50 g/mol, XLogP of 12.96, 24 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazol-4-ol;1-(9H-carbazol-1-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;5-(9H-carbazol-1-yloxymethyl)-3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidine;[3-[2-(2-methoxyphenoxy)ethyl]-2-methylidene-1,3-oxazolidin-5-yl]methanol is sourced from PubChem (CID 160888991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).