8-bromooctan-1-ol;8-bromooctyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate;2-[1-(4-chlorobenzoyl)-5-formyl-2-methylindol-3-yl]acetic acid;2-[1-(4-chlorobenzoyl)-5-formyl-2-methylindol-3-yl]acetyl chloride;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl chloride;oxalyl dichloride;chloride

C94H90Br2Cl9N4O17- — CID 158603416

IUPAC8-bromooctan-1-ol;8-bromooctyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate;2-[1-(4-chlorobenzoyl)-5-formyl-2-methylindol-3-yl]acetic acid;2-[1-(4-chlorobenzoyl)-5-formyl-2-methylindol-3-yl]acetyl chloride;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl chloride;oxalyl dichloride;chloride
SMILESCOc1ccc2c(c1)c(CC(=O)Cl)c(C)n2C(=O)c1ccc(Cl)cc1.COc1ccc2c(c1)c(CC(=O)OCCCCCCCCBr)c(C)n2C(=O)c1ccc(Cl)cc1.Cc1c(CC(=O)Cl)c2cc(C=O)ccc2n1C(=O)c1ccc(Cl)cc1.Cc1c(CC(=O)O)c2cc(C=O)ccc2n1C(=O)c1ccc(Cl)cc1.O=C(Cl)C(=O)Cl.OCCCCCCCCBr.[Cl-]
InChIInChI=1S/C27H31BrClNO4.C19H15Cl2NO3.C19H13Cl2NO3.C19H14ClNO4.C8H17BrO.C2Cl2O2.ClH/c1-19-23(18-26(31)34-16-8-6-4-3-5-7-15-28)24-17-22(33-2)13-14-25(24)30(19)27(32)20-9-11-21(29)12-10-20;1-11-15(10-18(21)23)16-9-14(25-2)7-8-17(16)22(11)19(24)12-3-5-13(20)6-4-12;1-11-15(9-18(21)24)16-8-12(10-23)2-7-17(16)22(11)19(25)13-3-5-14(20)6-4-13;1-11-15(9-18(23)24)16-8-12(10-22)2-7-17(16)21(11)19(25)13-3-5-14(20)6-4-13;9-7-5-3-1-2-4-6-8-10;3-1(5)2(4)6;/h9-14,17H,3-8,15-16,18H2,1-2H3;3-9H,10H2,1-2H3;2-8,10H,9H2,1H3;2-8,10H,9H2,1H3,(H,23,24);10H,1-8H2;;1H/p-1
InChIKeyOBTRGFOHLGLTJM-UHFFFAOYSA-M
MW2026.65 g/mol
LogP20.11
Rot. Bonds32

About 8-bromooctan-1-ol;8-bromooctyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate;2-[1-(4-chlorobenzoyl)-5-formyl-2-methylindol-3-yl]acetic acid;2-[1-(4-chlorobenzoyl)-5-formyl-2-methylindol-3-yl]acetyl chloride;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl chloride;oxalyl dichloride;chloride

8-bromooctan-1-ol;8-bromooctyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate;2-[1-(4-chlorobenzoyl)-5-formyl-2-methylindol-3-yl]acetic acid;2-[1-(4-chlorobenzoyl)-5-formyl-2-methylindol-3-yl]acetyl chloride;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl chloride;oxalyl dichloride;chloride (PubChem CID 158603416) has the molecular formula C94H90Br2Cl9N4O17- and a molecular weight of 2026.65 g/mol. Its IUPAC name is 8-bromooctan-1-ol;8-bromooctyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate;2-[1-(4-chlorobenzoyl)-5-formyl-2-methylindol-3-yl]acetic acid;2-[1-(4-chlorobenzoyl)-5-formyl-2-methylindol-3-yl]acetyl chloride;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl chloride;oxalyl dichloride;chloride.

Molecular Properties

Compound Name8-bromooctan-1-ol;8-bromooctyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate;2-[1-(4-chlorobenzoyl)-5-formyl-2-methylindol-3-yl]acetic acid;2-[1-(4-chlorobenzoyl)-5-formyl-2-methylindol-3-yl]acetyl chloride;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl chloride;oxalyl dichloride;chloride
PubChem CID158603416
Molecular FormulaC94H90Br2Cl9N4O17-
Molecular Weight2026.65 g/mol
Exact Mass2019.19
IUPAC Name8-bromooctan-1-ol;8-bromooctyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate;2-[1-(4-chlorobenzoyl)-5-formyl-2-methylindol-3-yl]acetic acid;2-[1-(4-chlorobenzoyl)-5-formyl-2-methylindol-3-yl]acetyl chloride;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl chloride;oxalyl dichloride;chloride
SMILESCOc1ccc2c(c1)c(CC(=O)Cl)c(C)n2C(=O)c1ccc(Cl)cc1.COc1ccc2c(c1)c(CC(=O)OCCCCCCCCBr)c(C)n2C(=O)c1ccc(Cl)cc1.Cc1c(CC(=O)Cl)c2cc(C=O)ccc2n1C(=O)c1ccc(Cl)cc1.Cc1c(CC(=O)O)c2cc(C=O)ccc2n1C(=O)c1ccc(Cl)cc1.O=C(Cl)C(=O)Cl.OCCCCCCCCBr.[Cl-]
InChIInChI=1S/C27H31BrClNO4.C19H15Cl2NO3.C19H13Cl2NO3.C19H14ClNO4.C8H17BrO.C2Cl2O2.ClH/c1-19-23(18-26(31)34-16-8-6-4-3-5-7-15-28)24-17-22(33-2)13-14-25(24)30(19)27(32)20-9-11-21(29)12-10-20;1-11-15(10-18(21)23)16-9-14(25-2)7-8-17(16)22(11)19(24)12-3-5-13(20)6-4-12;1-11-15(9-18(21)24)16-8-12(10-23)2-7-17(16)22(11)19(25)13-3-5-14(20)6-4-13;1-11-15(9-18(23)24)16-8-12(10-22)2-7-17(16)21(11)19(25)13-3-5-14(20)6-4-13;9-7-5-3-1-2-4-6-8-10;3-1(5)2(4)6;/h9-14,17H,3-8,15-16,18H2,1-2H3;3-9H,10H2,1-2H3;2-8,10H,9H2,1H3;2-8,10H,9H2,1H3,(H,23,24);10H,1-8H2;;1H/p-1
InChIKeyOBTRGFOHLGLTJM-UHFFFAOYSA-M
XLogP20.11
TPSA292.71 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds32
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002026.65
LogP ≤ 520.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-bromooctan-1-ol;8-bromooctyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate;2-[1-(4-chlorobenzoyl)-5-formyl-2-methylindol-3-yl]acetic acid;2-[1-(4-chlorobenzoyl)-5-formyl-2-methylindol-3-yl]acetyl chloride;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl chloride;oxalyl dichloride;chloride?
The IUPAC name of 8-bromooctan-1-ol;8-bromooctyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate;2-[1-(4-chlorobenzoyl)-5-formyl-2-methylindol-3-yl]acetic acid;2-[1-(4-chlorobenzoyl)-5-formyl-2-methylindol-3-yl]acetyl chloride;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl chloride;oxalyl dichloride;chloride (CID 158603416) is 8-bromooctan-1-ol;8-bromooctyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate;2-[1-(4-chlorobenzoyl)-5-formyl-2-methylindol-3-yl]acetic acid;2-[1-(4-chlorobenzoyl)-5-formyl-2-methylindol-3-yl]acetyl chloride;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl chloride;oxalyl dichloride;chloride.
What is the SMILES notation for 8-bromooctan-1-ol;8-bromooctyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate;2-[1-(4-chlorobenzoyl)-5-formyl-2-methylindol-3-yl]acetic acid;2-[1-(4-chlorobenzoyl)-5-formyl-2-methylindol-3-yl]acetyl chloride;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl chloride;oxalyl dichloride;chloride?
The canonical SMILES for 8-bromooctan-1-ol;8-bromooctyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate;2-[1-(4-chlorobenzoyl)-5-formyl-2-methylindol-3-yl]acetic acid;2-[1-(4-chlorobenzoyl)-5-formyl-2-methylindol-3-yl]acetyl chloride;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl chloride;oxalyl dichloride;chloride is COc1ccc2c(c1)c(CC(=O)Cl)c(C)n2C(=O)c1ccc(Cl)cc1.COc1ccc2c(c1)c(CC(=O)OCCCCCCCCBr)c(C)n2C(=O)c1ccc(Cl)cc1.Cc1c(CC(=O)Cl)c2cc(C=O)ccc2n1C(=O)c1ccc(Cl)cc1.Cc1c(CC(=O)O)c2cc(C=O)ccc2n1C(=O)c1ccc(Cl)cc1.O=C(Cl)C(=O)Cl.OCCCCCCCCBr.[Cl-].
What is the InChIKey of 8-bromooctan-1-ol;8-bromooctyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate;2-[1-(4-chlorobenzoyl)-5-formyl-2-methylindol-3-yl]acetic acid;2-[1-(4-chlorobenzoyl)-5-formyl-2-methylindol-3-yl]acetyl chloride;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl chloride;oxalyl dichloride;chloride?
The InChIKey is OBTRGFOHLGLTJM-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H31BrClNO4.C19H15Cl2NO3.C19H13Cl2NO3.C19H14ClNO4.C8H17BrO.C2Cl2O2.ClH/c1-19-23(18-26(31)34-16-8-6-4-3-5-7-15-28)24-17-22(33-2)13-14-25(24)30(19)27(32)20-9-11-21(29)12-10-20;1-11-15(10-18(21)23)16-9-14(25-2)7-8-17(16)22(11)19(24)12-3-5-13(20)6-4-12;1-11-15(9-18(21)24)16-8-12(10-23)2-7-17(16)22(11)19(25)13-3-5-14(20)6-4-13;1-11-15(9-18(23)24)16-8-12(10-22)2-7-17(16)21(11)19(25)13-3-5-14(20)6-4-13;9-7-5-3-1-2-4-6-8-10;3-1(5)2(4)6;/h9-14,17H,3-8,15-16,18H2,1-2H3;3-9H,10H2,1-2H3;2-8,10H,9H2,1H3;2-8,10H,9H2,1H3,(H,23,24);10H,1-8H2;;1H/p-1.
What are the key properties of 8-bromooctan-1-ol;8-bromooctyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate;2-[1-(4-chlorobenzoyl)-5-formyl-2-methylindol-3-yl]acetic acid;2-[1-(4-chlorobenzoyl)-5-formyl-2-methylindol-3-yl]acetyl chloride;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl chloride;oxalyl dichloride;chloride?
8-bromooctan-1-ol;8-bromooctyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate;2-[1-(4-chlorobenzoyl)-5-formyl-2-methylindol-3-yl]acetic acid;2-[1-(4-chlorobenzoyl)-5-formyl-2-methylindol-3-yl]acetyl chloride;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl chloride;oxalyl dichloride;chloride has a molecular weight of 2026.65 g/mol, XLogP of 20.11, 32 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromooctan-1-ol;8-bromooctyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate;2-[1-(4-chlorobenzoyl)-5-formyl-2-methylindol-3-yl]acetic acid;2-[1-(4-chlorobenzoyl)-5-formyl-2-methylindol-3-yl]acetyl chloride;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl chloride;oxalyl dichloride;chloride is sourced from PubChem (CID 158603416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).