chloro(iodo)methane;2-(chloromethoxy)-1,3-di(propan-2-yl)benzene;dibenzyl [2,6-di(propan-2-yl)phenoxy]methyl phosphate;dibenzyl hydrogen phosphate;2,6-di(propan-2-yl)phenol;methane;silver

C68H91AgCl2IO11P2 — CID 161189839

IUPACchloro(iodo)methane;2-(chloromethoxy)-1,3-di(propan-2-yl)benzene;dibenzyl [2,6-di(propan-2-yl)phenoxy]methyl phosphate;dibenzyl hydrogen phosphate;2,6-di(propan-2-yl)phenol;methane;silver
SMILESC.CC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1OCCl.CC(C)c1cccc(C(C)C)c1OCOP(=O)(OCc1ccccc1)OCc1ccccc1.ClCI.O=P(O)(OCc1ccccc1)OCc1ccccc1.[Ag]
InChIInChI=1S/C27H33O5P.C14H15O4P.C13H19ClO.C12H18O.CH2ClI.CH4.Ag/c1-21(2)25-16-11-17-26(22(3)4)27(25)29-20-32-33(28,30-18-23-12-7-5-8-13-23)31-19-24-14-9-6-10-15-24;15-19(16,17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14;1-9(2)11-6-5-7-12(10(3)4)13(11)15-8-14;1-8(2)10-6-5-7-11(9(3)4)12(10)13;2-1-3;;/h5-17,21-22H,18-20H2,1-4H3;1-10H,11-12H2,(H,15,16);5-7,9-10H,8H2,1-4H3;5-9,13H,1-4H3;1H2;1H4;
InChIKeyQPDVQWDPACNVPP-UHFFFAOYSA-N
MW1452.09 g/mol
LogP21.75
Rot. Bonds24

About chloro(iodo)methane;2-(chloromethoxy)-1,3-di(propan-2-yl)benzene;dibenzyl [2,6-di(propan-2-yl)phenoxy]methyl phosphate;dibenzyl hydrogen phosphate;2,6-di(propan-2-yl)phenol;methane;silver

chloro(iodo)methane;2-(chloromethoxy)-1,3-di(propan-2-yl)benzene;dibenzyl [2,6-di(propan-2-yl)phenoxy]methyl phosphate;dibenzyl hydrogen phosphate;2,6-di(propan-2-yl)phenol;methane;silver (PubChem CID 161189839) has the molecular formula C68H91AgCl2IO11P2 and a molecular weight of 1452.09 g/mol. Its IUPAC name is chloro(iodo)methane;2-(chloromethoxy)-1,3-di(propan-2-yl)benzene;dibenzyl [2,6-di(propan-2-yl)phenoxy]methyl phosphate;dibenzyl hydrogen phosphate;2,6-di(propan-2-yl)phenol;methane;silver.

Molecular Properties

Compound Namechloro(iodo)methane;2-(chloromethoxy)-1,3-di(propan-2-yl)benzene;dibenzyl [2,6-di(propan-2-yl)phenoxy]methyl phosphate;dibenzyl hydrogen phosphate;2,6-di(propan-2-yl)phenol;methane;silver
PubChem CID161189839
Molecular FormulaC68H91AgCl2IO11P2
Molecular Weight1452.09 g/mol
Exact Mass1449.35
IUPAC Namechloro(iodo)methane;2-(chloromethoxy)-1,3-di(propan-2-yl)benzene;dibenzyl [2,6-di(propan-2-yl)phenoxy]methyl phosphate;dibenzyl hydrogen phosphate;2,6-di(propan-2-yl)phenol;methane;silver
SMILESC.CC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1OCCl.CC(C)c1cccc(C(C)C)c1OCOP(=O)(OCc1ccccc1)OCc1ccccc1.ClCI.O=P(O)(OCc1ccccc1)OCc1ccccc1.[Ag]
InChIInChI=1S/C27H33O5P.C14H15O4P.C13H19ClO.C12H18O.CH2ClI.CH4.Ag/c1-21(2)25-16-11-17-26(22(3)4)27(25)29-20-32-33(28,30-18-23-12-7-5-8-13-23)31-19-24-14-9-6-10-15-24;15-19(16,17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14;1-9(2)11-6-5-7-12(10(3)4)13(11)15-8-14;1-8(2)10-6-5-7-11(9(3)4)12(10)13;2-1-3;;/h5-17,21-22H,18-20H2,1-4H3;1-10H,11-12H2,(H,15,16);5-7,9-10H,8H2,1-4H3;5-9,13H,1-4H3;1H2;1H4;
InChIKeyQPDVQWDPACNVPP-UHFFFAOYSA-N
XLogP21.75
TPSA139.21 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds24
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001452.09
LogP ≤ 521.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

chloro(iodo)methane;dibenzyl chloromethyl phosphate;dibenzyl hydrogen phosphate;silver
CID 158261759
dibenzyl hydrogen phosphate;silver
CID 85301331
dibenzyl chloromethyl phosphate;ethane
CID 144742868
1-(2-phenylmethoxy-3-propan-2-ylphenyl)ethanol
CID 170547313
(2S)-2-(2-phenylmethoxy-3-propan-2-ylphenyl)propanal
CID 141427213
benzyl tert-butyl hydrogen phosphate
CID 140989025
2,6-di(propan-2-yl)phenol;silver
CID 174803720
dibenzyl benzylperoxymethyl phosphate
CID 138564478
benzyl 7-methyloctyl hydrogen phosphate
CID 19374043
(2-propan-2-ylphenoxy)methyl dihydrogen phosphate
CID 141133004
1-[2,6-di(propan-2-yl)phenoxy]butan-2-one
CID 62039580
benzyl [diamino(phenyl)methyl] hydrogen phosphate
CID 150924129

Frequently Asked Questions

What is the IUPAC name of chloro(iodo)methane;2-(chloromethoxy)-1,3-di(propan-2-yl)benzene;dibenzyl [2,6-di(propan-2-yl)phenoxy]methyl phosphate;dibenzyl hydrogen phosphate;2,6-di(propan-2-yl)phenol;methane;silver?
The IUPAC name of chloro(iodo)methane;2-(chloromethoxy)-1,3-di(propan-2-yl)benzene;dibenzyl [2,6-di(propan-2-yl)phenoxy]methyl phosphate;dibenzyl hydrogen phosphate;2,6-di(propan-2-yl)phenol;methane;silver (CID 161189839) is chloro(iodo)methane;2-(chloromethoxy)-1,3-di(propan-2-yl)benzene;dibenzyl [2,6-di(propan-2-yl)phenoxy]methyl phosphate;dibenzyl hydrogen phosphate;2,6-di(propan-2-yl)phenol;methane;silver.
What is the SMILES notation for chloro(iodo)methane;2-(chloromethoxy)-1,3-di(propan-2-yl)benzene;dibenzyl [2,6-di(propan-2-yl)phenoxy]methyl phosphate;dibenzyl hydrogen phosphate;2,6-di(propan-2-yl)phenol;methane;silver?
The canonical SMILES for chloro(iodo)methane;2-(chloromethoxy)-1,3-di(propan-2-yl)benzene;dibenzyl [2,6-di(propan-2-yl)phenoxy]methyl phosphate;dibenzyl hydrogen phosphate;2,6-di(propan-2-yl)phenol;methane;silver is C.CC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1OCCl.CC(C)c1cccc(C(C)C)c1OCOP(=O)(OCc1ccccc1)OCc1ccccc1.ClCI.O=P(O)(OCc1ccccc1)OCc1ccccc1.[Ag].
What is the InChIKey of chloro(iodo)methane;2-(chloromethoxy)-1,3-di(propan-2-yl)benzene;dibenzyl [2,6-di(propan-2-yl)phenoxy]methyl phosphate;dibenzyl hydrogen phosphate;2,6-di(propan-2-yl)phenol;methane;silver?
The InChIKey is QPDVQWDPACNVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33O5P.C14H15O4P.C13H19ClO.C12H18O.CH2ClI.CH4.Ag/c1-21(2)25-16-11-17-26(22(3)4)27(25)29-20-32-33(28,30-18-23-12-7-5-8-13-23)31-19-24-14-9-6-10-15-24;15-19(16,17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14;1-9(2)11-6-5-7-12(10(3)4)13(11)15-8-14;1-8(2)10-6-5-7-11(9(3)4)12(10)13;2-1-3;;/h5-17,21-22H,18-20H2,1-4H3;1-10H,11-12H2,(H,15,16);5-7,9-10H,8H2,1-4H3;5-9,13H,1-4H3;1H2;1H4;.
What are the key properties of chloro(iodo)methane;2-(chloromethoxy)-1,3-di(propan-2-yl)benzene;dibenzyl [2,6-di(propan-2-yl)phenoxy]methyl phosphate;dibenzyl hydrogen phosphate;2,6-di(propan-2-yl)phenol;methane;silver?
chloro(iodo)methane;2-(chloromethoxy)-1,3-di(propan-2-yl)benzene;dibenzyl [2,6-di(propan-2-yl)phenoxy]methyl phosphate;dibenzyl hydrogen phosphate;2,6-di(propan-2-yl)phenol;methane;silver has a molecular weight of 1452.09 g/mol, XLogP of 21.75, 24 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(iodo)methane;2-(chloromethoxy)-1,3-di(propan-2-yl)benzene;dibenzyl [2,6-di(propan-2-yl)phenoxy]methyl phosphate;dibenzyl hydrogen phosphate;2,6-di(propan-2-yl)phenol;methane;silver is sourced from PubChem (CID 161189839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).