carbanide;ethane;1-ethoxyethoxybenzene;methane;1-methoxyethoxybenzene;1-[2-(1-methoxyethoxy)ethoxy]propane;methoxymethoxybenzene;phenol;phenyl-(2,3,4-trimethoxyphenyl)methanone;propane;rhenium;rhodium

C94H184O14ReRh-2 — CID 163470821

IUPACcarbanide;ethane;1-ethoxyethoxybenzene;methane;1-methoxyethoxybenzene;1-[2-(1-methoxyethoxy)ethoxy]propane;methoxymethoxybenzene;phenol;phenyl-(2,3,4-trimethoxyphenyl)methanone;propane;rhenium;rhodium
SMILESC.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.CCC.CCC.CCC.CCCOCCOC(C)OC.CCOC(C)Oc1ccccc1.COC(C)Oc1ccccc1.CO[CH-]Oc1ccccc1.COc1ccc(C(=O)c2ccccc2)c(OC)c1OC.Oc1ccccc1.[CH3-].[Re].[Rh]
InChIInChI=1S/C16H16O4.C10H14O2.C9H12O2.C8H18O3.C8H9O2.C6H6O.4C3H8.11C2H6.2CH4.CH3.Re.Rh/c1-18-13-10-9-12(15(19-2)16(13)20-3)14(17)11-7-5-4-6-8-11;1-3-11-9(2)12-10-7-5-4-6-8-10;1-8(10-2)11-9-6-4-3-5-7-9;1-4-5-10-6-7-11-8(2)9-3;1-9-7-10-8-5-3-2-4-6-8;7-6-4-2-1-3-5-6;4*1-3-2;11*1-2;;;;;/h4-10H,1-3H3;4-9H,3H2,1-2H3;3-8H,1-2H3;8H,4-7H2,1-3H3;2-7H,1H3;1-5,7H;4*3H2,1-2H3;11*1-2H3;2*1H4;1H3;;/q;;;;-1;;;;;;;;;;;;;;;;;;;-1;;
InChIKeyPNRRNDDWPPDAIM-UHFFFAOYSA-N
MW1827.60 g/mol
LogP30.77
Rot. Bonds22

About carbanide;ethane;1-ethoxyethoxybenzene;methane;1-methoxyethoxybenzene;1-[2-(1-methoxyethoxy)ethoxy]propane;methoxymethoxybenzene;phenol;phenyl-(2,3,4-trimethoxyphenyl)methanone;propane;rhenium;rhodium

carbanide;ethane;1-ethoxyethoxybenzene;methane;1-methoxyethoxybenzene;1-[2-(1-methoxyethoxy)ethoxy]propane;methoxymethoxybenzene;phenol;phenyl-(2,3,4-trimethoxyphenyl)methanone;propane;rhenium;rhodium (PubChem CID 163470821) has the molecular formula C94H184O14ReRh-2 and a molecular weight of 1827.60 g/mol. Its IUPAC name is carbanide;ethane;1-ethoxyethoxybenzene;methane;1-methoxyethoxybenzene;1-[2-(1-methoxyethoxy)ethoxy]propane;methoxymethoxybenzene;phenol;phenyl-(2,3,4-trimethoxyphenyl)methanone;propane;rhenium;rhodium.

Molecular Properties

Compound Namecarbanide;ethane;1-ethoxyethoxybenzene;methane;1-methoxyethoxybenzene;1-[2-(1-methoxyethoxy)ethoxy]propane;methoxymethoxybenzene;phenol;phenyl-(2,3,4-trimethoxyphenyl)methanone;propane;rhenium;rhodium
PubChem CID163470821
Molecular FormulaC94H184O14ReRh-2
Molecular Weight1827.60 g/mol
Exact Mass1827.23
IUPAC Namecarbanide;ethane;1-ethoxyethoxybenzene;methane;1-methoxyethoxybenzene;1-[2-(1-methoxyethoxy)ethoxy]propane;methoxymethoxybenzene;phenol;phenyl-(2,3,4-trimethoxyphenyl)methanone;propane;rhenium;rhodium
SMILESC.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.CCC.CCC.CCC.CCCOCCOC(C)OC.CCOC(C)Oc1ccccc1.COC(C)Oc1ccccc1.CO[CH-]Oc1ccccc1.COc1ccc(C(=O)c2ccccc2)c(OC)c1OC.Oc1ccccc1.[CH3-].[Re].[Rh]
InChIInChI=1S/C16H16O4.C10H14O2.C9H12O2.C8H18O3.C8H9O2.C6H6O.4C3H8.11C2H6.2CH4.CH3.Re.Rh/c1-18-13-10-9-12(15(19-2)16(13)20-3)14(17)11-7-5-4-6-8-11;1-3-11-9(2)12-10-7-5-4-6-8-10;1-8(10-2)11-9-6-4-3-5-7-9;1-4-5-10-6-7-11-8(2)9-3;1-9-7-10-8-5-3-2-4-6-8;7-6-4-2-1-3-5-6;4*1-3-2;11*1-2;;;;;/h4-10H,1-3H3;4-9H,3H2,1-2H3;3-8H,1-2H3;8H,4-7H2,1-3H3;2-7H,1H3;1-5,7H;4*3H2,1-2H3;11*1-2H3;2*1H4;1H3;;/q;;;;-1;;;;;;;;;;;;;;;;;;;-1;;
InChIKeyPNRRNDDWPPDAIM-UHFFFAOYSA-N
XLogP30.77
TPSA148.06 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds22
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001827.60
LogP ≤ 530.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze carbanide;ethane;1-ethoxyethoxybenzene;methane;1-methoxyethoxybenzene;1-[2-(1-methoxyethoxy)ethoxy]propane;methoxymethoxybenzene;phenol;phenyl-(2,3,4-trimethoxyphenyl)methanone;propane;rhenium;rhodium with MolForge

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Related Compounds

benzene;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;1-methoxyethoxybenzene;phenol;propane
CID 163693929
(2-benzoyl-3,4-dimethoxyphenyl)-phenylmethanone
CID 175021550
[3,4-dimethoxy-2-[methoxy-(2-methoxyphenyl)methyl]phenyl]-phenylmethanone
CID 175008315
[2-(hydroxymethyl)-3,4-dimethoxyphenyl]-phenylmethanone
CID 58297973
(4-benzoylphenyl) 2,3,4-trimethoxybenzoate
CID 9095487
(4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanone
CID 43588922
2-benzoyloxyethyl 2,3,4-trimethoxybenzoate
CID 30194766
(2-hydroxy-4-methoxy-3-propylphenyl)-phenylmethanone
CID 86122742
(2-butoxy-4-methoxyphenyl)-phenylmethanone
CID 18335918
2-[2-[2-[2-(2,3,4-trimethoxybenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2,3,4-trimethoxybenzoate
CID 139804932
lithium;(2,6-dimethoxyphenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173244606
(3-ethyl-2-hydroxy-4-methoxyphenyl)-phenylmethanone
CID 18714090

Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;1-ethoxyethoxybenzene;methane;1-methoxyethoxybenzene;1-[2-(1-methoxyethoxy)ethoxy]propane;methoxymethoxybenzene;phenol;phenyl-(2,3,4-trimethoxyphenyl)methanone;propane;rhenium;rhodium?
The IUPAC name of carbanide;ethane;1-ethoxyethoxybenzene;methane;1-methoxyethoxybenzene;1-[2-(1-methoxyethoxy)ethoxy]propane;methoxymethoxybenzene;phenol;phenyl-(2,3,4-trimethoxyphenyl)methanone;propane;rhenium;rhodium (CID 163470821) is carbanide;ethane;1-ethoxyethoxybenzene;methane;1-methoxyethoxybenzene;1-[2-(1-methoxyethoxy)ethoxy]propane;methoxymethoxybenzene;phenol;phenyl-(2,3,4-trimethoxyphenyl)methanone;propane;rhenium;rhodium.
What is the SMILES notation for carbanide;ethane;1-ethoxyethoxybenzene;methane;1-methoxyethoxybenzene;1-[2-(1-methoxyethoxy)ethoxy]propane;methoxymethoxybenzene;phenol;phenyl-(2,3,4-trimethoxyphenyl)methanone;propane;rhenium;rhodium?
The canonical SMILES for carbanide;ethane;1-ethoxyethoxybenzene;methane;1-methoxyethoxybenzene;1-[2-(1-methoxyethoxy)ethoxy]propane;methoxymethoxybenzene;phenol;phenyl-(2,3,4-trimethoxyphenyl)methanone;propane;rhenium;rhodium is C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.CCC.CCC.CCC.CCCOCCOC(C)OC.CCOC(C)Oc1ccccc1.COC(C)Oc1ccccc1.CO[CH-]Oc1ccccc1.COc1ccc(C(=O)c2ccccc2)c(OC)c1OC.Oc1ccccc1.[CH3-].[Re].[Rh].
What is the InChIKey of carbanide;ethane;1-ethoxyethoxybenzene;methane;1-methoxyethoxybenzene;1-[2-(1-methoxyethoxy)ethoxy]propane;methoxymethoxybenzene;phenol;phenyl-(2,3,4-trimethoxyphenyl)methanone;propane;rhenium;rhodium?
The InChIKey is PNRRNDDWPPDAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4.C10H14O2.C9H12O2.C8H18O3.C8H9O2.C6H6O.4C3H8.11C2H6.2CH4.CH3.Re.Rh/c1-18-13-10-9-12(15(19-2)16(13)20-3)14(17)11-7-5-4-6-8-11;1-3-11-9(2)12-10-7-5-4-6-8-10;1-8(10-2)11-9-6-4-3-5-7-9;1-4-5-10-6-7-11-8(2)9-3;1-9-7-10-8-5-3-2-4-6-8;7-6-4-2-1-3-5-6;4*1-3-2;11*1-2;;;;;/h4-10H,1-3H3;4-9H,3H2,1-2H3;3-8H,1-2H3;8H,4-7H2,1-3H3;2-7H,1H3;1-5,7H;4*3H2,1-2H3;11*1-2H3;2*1H4;1H3;;/q;;;;-1;;;;;;;;;;;;;;;;;;;-1;;.
What are the key properties of carbanide;ethane;1-ethoxyethoxybenzene;methane;1-methoxyethoxybenzene;1-[2-(1-methoxyethoxy)ethoxy]propane;methoxymethoxybenzene;phenol;phenyl-(2,3,4-trimethoxyphenyl)methanone;propane;rhenium;rhodium?
carbanide;ethane;1-ethoxyethoxybenzene;methane;1-methoxyethoxybenzene;1-[2-(1-methoxyethoxy)ethoxy]propane;methoxymethoxybenzene;phenol;phenyl-(2,3,4-trimethoxyphenyl)methanone;propane;rhenium;rhodium has a molecular weight of 1827.60 g/mol, XLogP of 30.77, 22 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;1-ethoxyethoxybenzene;methane;1-methoxyethoxybenzene;1-[2-(1-methoxyethoxy)ethoxy]propane;methoxymethoxybenzene;phenol;phenyl-(2,3,4-trimethoxyphenyl)methanone;propane;rhenium;rhodium is sourced from PubChem (CID 163470821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).