[3,5-bis(2-methoxyphenyl)-2,6-di(propan-2-yl)phenyl]-dicyclohexylphosphane

C38H51O2P — CID 175808760

IUPAC[3,5-bis(2-methoxyphenyl)-2,6-di(propan-2-yl)phenyl]-dicyclohexylphosphane
SMILESCOc1ccccc1-c1cc(-c2ccccc2OC)c(C(C)C)c(P(C2CCCCC2)C2CCCCC2)c1C(C)C
InChIInChI=1S/C38H51O2P/c1-26(2)36-32(30-21-13-15-23-34(30)39-5)25-33(31-22-14-16-24-35(31)40-6)37(27(3)4)38(36)41(28-17-9-7-10-18-28)29-19-11-8-12-20-29/h13-16,21-29H,7-12,17-20H2,1-6H3
InChIKeyDYBLACGCACONIG-UHFFFAOYSA-N
MW570.80 g/mol
LogP11.06
Rot. Bonds9

About [3,5-bis(2-methoxyphenyl)-2,6-di(propan-2-yl)phenyl]-dicyclohexylphosphane

[3,5-bis(2-methoxyphenyl)-2,6-di(propan-2-yl)phenyl]-dicyclohexylphosphane (PubChem CID 175808760) has the molecular formula C38H51O2P and a molecular weight of 570.80 g/mol. Its IUPAC name is [3,5-bis(2-methoxyphenyl)-2,6-di(propan-2-yl)phenyl]-dicyclohexylphosphane.

Molecular Properties

Compound Name[3,5-bis(2-methoxyphenyl)-2,6-di(propan-2-yl)phenyl]-dicyclohexylphosphane
PubChem CID175808760
Molecular FormulaC38H51O2P
Molecular Weight570.80 g/mol
Exact Mass570.36
IUPAC Name[3,5-bis(2-methoxyphenyl)-2,6-di(propan-2-yl)phenyl]-dicyclohexylphosphane
SMILESCOc1ccccc1-c1cc(-c2ccccc2OC)c(C(C)C)c(P(C2CCCCC2)C2CCCCC2)c1C(C)C
InChIInChI=1S/C38H51O2P/c1-26(2)36-32(30-21-13-15-23-34(30)39-5)25-33(31-22-14-16-24-35(31)40-6)37(27(3)4)38(36)41(28-17-9-7-10-18-28)29-19-11-8-12-20-29/h13-16,21-29H,7-12,17-20H2,1-6H3
InChIKeyDYBLACGCACONIG-UHFFFAOYSA-N
XLogP11.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.80
LogP ≤ 511.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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-dimethoxyphenyl)phenyl]phosphane;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
CID 174903912
dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;palladium(2+)
CID 71494531
CID 69466165
CID 69466165
2-dicyclohexylphosphanyl-3-methoxy-N-methyl-N-phenylaniline
CID 71725627
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
cyclohexyl-bis(2-methoxyphenyl)phosphane
CID 101492497
2-dicyclohexylphosphanyl-3-(2,6-dimethoxyphenyl)benzenesulfonic acid;methane
CID 172858145
[4-(3-dicyclohexylphosphanyl-2,4-dimethoxyphenyl)-3-(hydroxymethyl)naphthalen-1-yl]methanol
CID 134464404
dicyclohexyl-[2-(2,5-diphenylpyrrol-1-yl)-6-methoxyphenyl]phosphane
CID 118474964
1-[cyclohexyl-(2-methoxyphenyl)methyl]-2-methoxybenzene
CID 70442414
[3-chloro-2,5-dimethoxy-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dicyclohexylphosphane
CID 75412135

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(2-methoxyphenyl)-2,6-di(propan-2-yl)phenyl]-dicyclohexylphosphane?
The IUPAC name of [3,5-bis(2-methoxyphenyl)-2,6-di(propan-2-yl)phenyl]-dicyclohexylphosphane (CID 175808760) is [3,5-bis(2-methoxyphenyl)-2,6-di(propan-2-yl)phenyl]-dicyclohexylphosphane.
What is the SMILES notation for [3,5-bis(2-methoxyphenyl)-2,6-di(propan-2-yl)phenyl]-dicyclohexylphosphane?
The canonical SMILES for [3,5-bis(2-methoxyphenyl)-2,6-di(propan-2-yl)phenyl]-dicyclohexylphosphane is COc1ccccc1-c1cc(-c2ccccc2OC)c(C(C)C)c(P(C2CCCCC2)C2CCCCC2)c1C(C)C.
What is the InChIKey of [3,5-bis(2-methoxyphenyl)-2,6-di(propan-2-yl)phenyl]-dicyclohexylphosphane?
The InChIKey is DYBLACGCACONIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H51O2P/c1-26(2)36-32(30-21-13-15-23-34(30)39-5)25-33(31-22-14-16-24-35(31)40-6)37(27(3)4)38(36)41(28-17-9-7-10-18-28)29-19-11-8-12-20-29/h13-16,21-29H,7-12,17-20H2,1-6H3.
What are the key properties of [3,5-bis(2-methoxyphenyl)-2,6-di(propan-2-yl)phenyl]-dicyclohexylphosphane?
[3,5-bis(2-methoxyphenyl)-2,6-di(propan-2-yl)phenyl]-dicyclohexylphosphane has a molecular weight of 570.80 g/mol, XLogP of 11.06, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(2-methoxyphenyl)-2,6-di(propan-2-yl)phenyl]-dicyclohexylphosphane is sourced from PubChem (CID 175808760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).