2-ethoxy-7-methyl-9H-carbazole;7-methyl-9H-carbazol-2-ol;2-methyl-7-phenylmethoxy-9H-carbazole;2-methyl-7-prop-2-enoxy-9H-carbazole;2-methyl-7-prop-2-enoxy-9-prop-2-enylcarbazole;2-methyl-7-propoxy-9H-carbazole;2-methyl-7-prop-2-ynoxy-9-prop-2-ynylcarbazole

C118H109N7O7 — CID 157488002

IUPAC2-ethoxy-7-methyl-9H-carbazole;7-methyl-9H-carbazol-2-ol;2-methyl-7-phenylmethoxy-9H-carbazole;2-methyl-7-prop-2-enoxy-9H-carbazole;2-methyl-7-prop-2-enoxy-9-prop-2-enylcarbazole;2-methyl-7-propoxy-9H-carbazole;2-methyl-7-prop-2-ynoxy-9-prop-2-ynylcarbazole
SMILESC#CCOc1ccc2c3ccc(C)cc3n(CC#C)c2c1.C=CCOc1ccc2c(c1)[nH]c1cc(C)ccc12.C=CCOc1ccc2c3ccc(C)cc3n(CC=C)c2c1.CCCOc1ccc2c(c1)[nH]c1cc(C)ccc12.CCOc1ccc2c(c1)[nH]c1cc(C)ccc12.Cc1ccc2c(c1)[nH]c1cc(O)ccc12.Cc1ccc2c(c1)[nH]c1cc(OCc3ccccc3)ccc12
InChIInChI=1S/C20H17NO.C19H19NO.C19H15NO.C16H17NO.C16H15NO.C15H15NO.C13H11NO/c1-14-7-9-17-18-10-8-16(12-20(18)21-19(17)11-14)22-13-15-5-3-2-4-6-15;2*1-4-10-20-18-12-14(3)6-8-16(18)17-9-7-15(13-19(17)20)21-11-5-2;2*1-3-8-18-12-5-7-14-13-6-4-11(2)9-15(13)17-16(14)10-12;1-3-17-11-5-7-13-12-6-4-10(2)8-14(12)16-15(13)9-11;1-8-2-4-10-11-5-3-9(15)7-13(11)14-12(10)6-8/h2-12,21H,13H2,1H3;4-9,12-13H,1-2,10-11H2,3H3;1-2,6-9,12-13H,10-11H2,3H3;4-7,9-10,17H,3,8H2,1-2H3;3-7,9-10,17H,1,8H2,2H3;4-9,16H,3H2,1-2H3;2-7,14-15H,1H3
InChIKeyBWYCNGZDXXXFBD-UHFFFAOYSA-N
MW1737.21 g/mol
LogP29.79
Rot. Bonds19

About 2-ethoxy-7-methyl-9H-carbazole;7-methyl-9H-carbazol-2-ol;2-methyl-7-phenylmethoxy-9H-carbazole;2-methyl-7-prop-2-enoxy-9H-carbazole;2-methyl-7-prop-2-enoxy-9-prop-2-enylcarbazole;2-methyl-7-propoxy-9H-carbazole;2-methyl-7-prop-2-ynoxy-9-prop-2-ynylcarbazole

2-ethoxy-7-methyl-9H-carbazole;7-methyl-9H-carbazol-2-ol;2-methyl-7-phenylmethoxy-9H-carbazole;2-methyl-7-prop-2-enoxy-9H-carbazole;2-methyl-7-prop-2-enoxy-9-prop-2-enylcarbazole;2-methyl-7-propoxy-9H-carbazole;2-methyl-7-prop-2-ynoxy-9-prop-2-ynylcarbazole (PubChem CID 157488002) has the molecular formula C118H109N7O7 and a molecular weight of 1737.21 g/mol. Its IUPAC name is 2-ethoxy-7-methyl-9H-carbazole;7-methyl-9H-carbazol-2-ol;2-methyl-7-phenylmethoxy-9H-carbazole;2-methyl-7-prop-2-enoxy-9H-carbazole;2-methyl-7-prop-2-enoxy-9-prop-2-enylcarbazole;2-methyl-7-propoxy-9H-carbazole;2-methyl-7-prop-2-ynoxy-9-prop-2-ynylcarbazole.

Molecular Properties

Compound Name2-ethoxy-7-methyl-9H-carbazole;7-methyl-9H-carbazol-2-ol;2-methyl-7-phenylmethoxy-9H-carbazole;2-methyl-7-prop-2-enoxy-9H-carbazole;2-methyl-7-prop-2-enoxy-9-prop-2-enylcarbazole;2-methyl-7-propoxy-9H-carbazole;2-methyl-7-prop-2-ynoxy-9-prop-2-ynylcarbazole
PubChem CID157488002
Molecular FormulaC118H109N7O7
Molecular Weight1737.21 g/mol
Exact Mass1735.84
IUPAC Name2-ethoxy-7-methyl-9H-carbazole;7-methyl-9H-carbazol-2-ol;2-methyl-7-phenylmethoxy-9H-carbazole;2-methyl-7-prop-2-enoxy-9H-carbazole;2-methyl-7-prop-2-enoxy-9-prop-2-enylcarbazole;2-methyl-7-propoxy-9H-carbazole;2-methyl-7-prop-2-ynoxy-9-prop-2-ynylcarbazole
SMILESC#CCOc1ccc2c3ccc(C)cc3n(CC#C)c2c1.C=CCOc1ccc2c(c1)[nH]c1cc(C)ccc12.C=CCOc1ccc2c3ccc(C)cc3n(CC=C)c2c1.CCCOc1ccc2c(c1)[nH]c1cc(C)ccc12.CCOc1ccc2c(c1)[nH]c1cc(C)ccc12.Cc1ccc2c(c1)[nH]c1cc(O)ccc12.Cc1ccc2c(c1)[nH]c1cc(OCc3ccccc3)ccc12
InChIInChI=1S/C20H17NO.C19H19NO.C19H15NO.C16H17NO.C16H15NO.C15H15NO.C13H11NO/c1-14-7-9-17-18-10-8-16(12-20(18)21-19(17)11-14)22-13-15-5-3-2-4-6-15;2*1-4-10-20-18-12-14(3)6-8-16(18)17-9-7-15(13-19(17)20)21-11-5-2;2*1-3-8-18-12-5-7-14-13-6-4-11(2)9-15(13)17-16(14)10-12;1-3-17-11-5-7-13-12-6-4-10(2)8-14(12)16-15(13)9-11;1-8-2-4-10-11-5-3-9(15)7-13(11)14-12(10)6-8/h2-12,21H,13H2,1H3;4-9,12-13H,1-2,10-11H2,3H3;1-2,6-9,12-13H,10-11H2,3H3;4-7,9-10,17H,3,8H2,1-2H3;3-7,9-10,17H,1,8H2,2H3;4-9,16H,3H2,1-2H3;2-7,14-15H,1H3
InChIKeyBWYCNGZDXXXFBD-UHFFFAOYSA-N
XLogP29.79
TPSA164.42 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001737.21
LogP ≤ 529.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-7-methyl-9H-carbazole;7-methyl-9H-carbazol-2-ol;2-methyl-7-phenylmethoxy-9H-carbazole;2-methyl-7-prop-2-enoxy-9H-carbazole;2-methyl-7-prop-2-enoxy-9-prop-2-enylcarbazole;2-methyl-7-propoxy-9H-carbazole;2-methyl-7-prop-2-ynoxy-9-prop-2-ynylcarbazole?
The IUPAC name of 2-ethoxy-7-methyl-9H-carbazole;7-methyl-9H-carbazol-2-ol;2-methyl-7-phenylmethoxy-9H-carbazole;2-methyl-7-prop-2-enoxy-9H-carbazole;2-methyl-7-prop-2-enoxy-9-prop-2-enylcarbazole;2-methyl-7-propoxy-9H-carbazole;2-methyl-7-prop-2-ynoxy-9-prop-2-ynylcarbazole (CID 157488002) is 2-ethoxy-7-methyl-9H-carbazole;7-methyl-9H-carbazol-2-ol;2-methyl-7-phenylmethoxy-9H-carbazole;2-methyl-7-prop-2-enoxy-9H-carbazole;2-methyl-7-prop-2-enoxy-9-prop-2-enylcarbazole;2-methyl-7-propoxy-9H-carbazole;2-methyl-7-prop-2-ynoxy-9-prop-2-ynylcarbazole.
What is the SMILES notation for 2-ethoxy-7-methyl-9H-carbazole;7-methyl-9H-carbazol-2-ol;2-methyl-7-phenylmethoxy-9H-carbazole;2-methyl-7-prop-2-enoxy-9H-carbazole;2-methyl-7-prop-2-enoxy-9-prop-2-enylcarbazole;2-methyl-7-propoxy-9H-carbazole;2-methyl-7-prop-2-ynoxy-9-prop-2-ynylcarbazole?
The canonical SMILES for 2-ethoxy-7-methyl-9H-carbazole;7-methyl-9H-carbazol-2-ol;2-methyl-7-phenylmethoxy-9H-carbazole;2-methyl-7-prop-2-enoxy-9H-carbazole;2-methyl-7-prop-2-enoxy-9-prop-2-enylcarbazole;2-methyl-7-propoxy-9H-carbazole;2-methyl-7-prop-2-ynoxy-9-prop-2-ynylcarbazole is C#CCOc1ccc2c3ccc(C)cc3n(CC#C)c2c1.C=CCOc1ccc2c(c1)[nH]c1cc(C)ccc12.C=CCOc1ccc2c3ccc(C)cc3n(CC=C)c2c1.CCCOc1ccc2c(c1)[nH]c1cc(C)ccc12.CCOc1ccc2c(c1)[nH]c1cc(C)ccc12.Cc1ccc2c(c1)[nH]c1cc(O)ccc12.Cc1ccc2c(c1)[nH]c1cc(OCc3ccccc3)ccc12.
What is the InChIKey of 2-ethoxy-7-methyl-9H-carbazole;7-methyl-9H-carbazol-2-ol;2-methyl-7-phenylmethoxy-9H-carbazole;2-methyl-7-prop-2-enoxy-9H-carbazole;2-methyl-7-prop-2-enoxy-9-prop-2-enylcarbazole;2-methyl-7-propoxy-9H-carbazole;2-methyl-7-prop-2-ynoxy-9-prop-2-ynylcarbazole?
The InChIKey is BWYCNGZDXXXFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO.C19H19NO.C19H15NO.C16H17NO.C16H15NO.C15H15NO.C13H11NO/c1-14-7-9-17-18-10-8-16(12-20(18)21-19(17)11-14)22-13-15-5-3-2-4-6-15;2*1-4-10-20-18-12-14(3)6-8-16(18)17-9-7-15(13-19(17)20)21-11-5-2;2*1-3-8-18-12-5-7-14-13-6-4-11(2)9-15(13)17-16(14)10-12;1-3-17-11-5-7-13-12-6-4-10(2)8-14(12)16-15(13)9-11;1-8-2-4-10-11-5-3-9(15)7-13(11)14-12(10)6-8/h2-12,21H,13H2,1H3;4-9,12-13H,1-2,10-11H2,3H3;1-2,6-9,12-13H,10-11H2,3H3;4-7,9-10,17H,3,8H2,1-2H3;3-7,9-10,17H,1,8H2,2H3;4-9,16H,3H2,1-2H3;2-7,14-15H,1H3.
What are the key properties of 2-ethoxy-7-methyl-9H-carbazole;7-methyl-9H-carbazol-2-ol;2-methyl-7-phenylmethoxy-9H-carbazole;2-methyl-7-prop-2-enoxy-9H-carbazole;2-methyl-7-prop-2-enoxy-9-prop-2-enylcarbazole;2-methyl-7-propoxy-9H-carbazole;2-methyl-7-prop-2-ynoxy-9-prop-2-ynylcarbazole?
2-ethoxy-7-methyl-9H-carbazole;7-methyl-9H-carbazol-2-ol;2-methyl-7-phenylmethoxy-9H-carbazole;2-methyl-7-prop-2-enoxy-9H-carbazole;2-methyl-7-prop-2-enoxy-9-prop-2-enylcarbazole;2-methyl-7-propoxy-9H-carbazole;2-methyl-7-prop-2-ynoxy-9-prop-2-ynylcarbazole has a molecular weight of 1737.21 g/mol, XLogP of 29.79, 19 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-7-methyl-9H-carbazole;7-methyl-9H-carbazol-2-ol;2-methyl-7-phenylmethoxy-9H-carbazole;2-methyl-7-prop-2-enoxy-9H-carbazole;2-methyl-7-prop-2-enoxy-9-prop-2-enylcarbazole;2-methyl-7-propoxy-9H-carbazole;2-methyl-7-prop-2-ynoxy-9-prop-2-ynylcarbazole is sourced from PubChem (CID 157488002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).