dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;1,3-dimethoxy-2-(2-methylphenyl)benzene

C71H94O6P2 — CID 158459712

IUPACdicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;1,3-dimethoxy-2-(2-methylphenyl)benzene
SMILESCC(C)Oc1cccc(OC(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1.COc1cccc(OC)c1-c1ccccc1C.COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C30H43O2P.C26H35O2P.C15H16O2/c1-22(2)31-27-19-13-20-28(32-23(3)4)30(27)26-18-11-12-21-29(26)33(24-14-7-5-8-15-24)25-16-9-6-10-17-25;1-27-23-17-11-18-24(28-2)26(23)22-16-9-10-19-25(22)29(20-12-5-3-6-13-20)21-14-7-4-8-15-21;1-11-7-4-5-8-12(11)15-13(16-2)9-6-10-14(15)17-3/h11-13,18-25H,5-10,14-17H2,1-4H3;9-11,16-21H,3-8,12-15H2,1-2H3;4-10H,1-3H3
InChIKeyHFADCEOJZXEEPA-UHFFFAOYSA-N
MW1105.47 g/mol
LogP19.52
Rot. Bonds17

About dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;1,3-dimethoxy-2-(2-methylphenyl)benzene

dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;1,3-dimethoxy-2-(2-methylphenyl)benzene (PubChem CID 158459712) has the molecular formula C71H94O6P2 and a molecular weight of 1105.47 g/mol. Its IUPAC name is dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;1,3-dimethoxy-2-(2-methylphenyl)benzene.

Molecular Properties

Compound Namedicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;1,3-dimethoxy-2-(2-methylphenyl)benzene
PubChem CID158459712
Molecular FormulaC71H94O6P2
Molecular Weight1105.47 g/mol
Exact Mass1104.65
IUPAC Namedicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;1,3-dimethoxy-2-(2-methylphenyl)benzene
SMILESCC(C)Oc1cccc(OC(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1.COc1cccc(OC)c1-c1ccccc1C.COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C30H43O2P.C26H35O2P.C15H16O2/c1-22(2)31-27-19-13-20-28(32-23(3)4)30(27)26-18-11-12-21-29(26)33(24-14-7-5-8-15-24)25-16-9-6-10-17-25;1-27-23-17-11-18-24(28-2)26(23)22-16-9-10-19-25(22)29(20-12-5-3-6-13-20)21-14-7-4-8-15-21;1-11-7-4-5-8-12(11)15-13(16-2)9-6-10-14(15)17-3/h11-13,18-25H,5-10,14-17H2,1-4H3;9-11,16-21H,3-8,12-15H2,1-2H3;4-10H,1-3H3
InChIKeyHFADCEOJZXEEPA-UHFFFAOYSA-N
XLogP19.52
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001105.47
LogP ≤ 519.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;palladium(2+)
CID 71494531
CID 69466165
CID 69466165
dicyclohexyl-[2-(2-propan-2-yloxy-6-propoxyphenyl)phenyl]phosphane
CID 70881184
dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
CID 174903912
dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;palladium;prop-2-enylbenzene;chloride
CID 172894343
dicyclohexyl-[3-dicyclohexylphosphanyl-4,6-bis[2,6-dimethoxy-3,5-bis(2-methylphenyl)phenyl]-2-propan-2-yloxyphenyl]phosphane
CID 166514583
dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;bis((3-diethoxyphosphinothioylsulfanyl-1,4-dioxan-2-yl)sulfanyl-diethoxy-sulfanylidene-λ5-phosphane)
CID 146279088
[2-[2,6-bis(4-methoxyphenyl)phenyl]phenyl]-dicyclohexylphosphane
CID 164886971
[2-[2,6-bis(3,5-dimethylphenyl)phenyl]phenyl]-dicyclohexylphosphane
CID 141479117
[2,6-bis[2,6-di(propan-2-yloxy)phenyl]phenyl]-tert-butyl-cyclohexylphosphane
CID 170566802
2-[2-[1-[cyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphanyl]cyclohexyl]phenyl]aniline
CID 175922901
3-(2-dicyclohexylphosphanylphenyl)-2,4-dimethoxybenzenesulfonic acid
CID 11555318

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;1,3-dimethoxy-2-(2-methylphenyl)benzene?
The IUPAC name of dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;1,3-dimethoxy-2-(2-methylphenyl)benzene (CID 158459712) is dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;1,3-dimethoxy-2-(2-methylphenyl)benzene.
What is the SMILES notation for dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;1,3-dimethoxy-2-(2-methylphenyl)benzene?
The canonical SMILES for dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;1,3-dimethoxy-2-(2-methylphenyl)benzene is CC(C)Oc1cccc(OC(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1.COc1cccc(OC)c1-c1ccccc1C.COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;1,3-dimethoxy-2-(2-methylphenyl)benzene?
The InChIKey is HFADCEOJZXEEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43O2P.C26H35O2P.C15H16O2/c1-22(2)31-27-19-13-20-28(32-23(3)4)30(27)26-18-11-12-21-29(26)33(24-14-7-5-8-15-24)25-16-9-6-10-17-25;1-27-23-17-11-18-24(28-2)26(23)22-16-9-10-19-25(22)29(20-12-5-3-6-13-20)21-14-7-4-8-15-21;1-11-7-4-5-8-12(11)15-13(16-2)9-6-10-14(15)17-3/h11-13,18-25H,5-10,14-17H2,1-4H3;9-11,16-21H,3-8,12-15H2,1-2H3;4-10H,1-3H3.
What are the key properties of dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;1,3-dimethoxy-2-(2-methylphenyl)benzene?
dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;1,3-dimethoxy-2-(2-methylphenyl)benzene has a molecular weight of 1105.47 g/mol, XLogP of 19.52, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;1,3-dimethoxy-2-(2-methylphenyl)benzene is sourced from PubChem (CID 158459712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).