[3-chloro-2,5-dimethoxy-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dicyclohexylphosphane

C35H52ClO2P — CID 75412135

IUPAC[3-chloro-2,5-dimethoxy-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dicyclohexylphosphane
SMILESCOc1cc(Cl)c(OC)c(P(C2CCCCC2)C2CCCCC2)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C35H52ClO2P/c1-22(2)25-19-28(23(3)4)32(29(20-25)24(5)6)33-31(37-7)21-30(36)34(38-8)35(33)39(26-15-11-9-12-16-26)27-17-13-10-14-18-27/h19-24,26-27H,9-18H2,1-8H3
InChIKeyGNFBFGBZWGRHHK-UHFFFAOYSA-N
MW571.23 g/mol
LogP11.17
Rot. Bonds9

About [3-chloro-2,5-dimethoxy-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dicyclohexylphosphane

[3-chloro-2,5-dimethoxy-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dicyclohexylphosphane (PubChem CID 75412135) has the molecular formula C35H52ClO2P and a molecular weight of 571.23 g/mol. Its IUPAC name is [3-chloro-2,5-dimethoxy-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dicyclohexylphosphane.

Molecular Properties

Compound Name[3-chloro-2,5-dimethoxy-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dicyclohexylphosphane
PubChem CID75412135
Molecular FormulaC35H52ClO2P
Molecular Weight571.23 g/mol
Exact Mass570.34
IUPAC Name[3-chloro-2,5-dimethoxy-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dicyclohexylphosphane
SMILESCOc1cc(Cl)c(OC)c(P(C2CCCCC2)C2CCCCC2)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C35H52ClO2P/c1-22(2)25-19-28(23(3)4)32(29(20-25)24(5)6)33-31(37-7)21-30(36)34(38-8)35(33)39(26-15-11-9-12-16-26)27-17-13-10-14-18-27/h19-24,26-27H,9-18H2,1-8H3
InChIKeyGNFBFGBZWGRHHK-UHFFFAOYSA-N
XLogP11.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.23
LogP ≤ 511.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-2,5-dimethoxy-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dicyclohexylphosphane?
The IUPAC name of [3-chloro-2,5-dimethoxy-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dicyclohexylphosphane (CID 75412135) is [3-chloro-2,5-dimethoxy-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dicyclohexylphosphane.
What is the SMILES notation for [3-chloro-2,5-dimethoxy-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dicyclohexylphosphane?
The canonical SMILES for [3-chloro-2,5-dimethoxy-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dicyclohexylphosphane is COc1cc(Cl)c(OC)c(P(C2CCCCC2)C2CCCCC2)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.
What is the InChIKey of [3-chloro-2,5-dimethoxy-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dicyclohexylphosphane?
The InChIKey is GNFBFGBZWGRHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H52ClO2P/c1-22(2)25-19-28(23(3)4)32(29(20-25)24(5)6)33-31(37-7)21-30(36)34(38-8)35(33)39(26-15-11-9-12-16-26)27-17-13-10-14-18-27/h19-24,26-27H,9-18H2,1-8H3.
What are the key properties of [3-chloro-2,5-dimethoxy-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dicyclohexylphosphane?
[3-chloro-2,5-dimethoxy-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dicyclohexylphosphane has a molecular weight of 571.23 g/mol, XLogP of 11.17, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2,5-dimethoxy-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dicyclohexylphosphane is sourced from PubChem (CID 75412135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).