bis(4-methoxy-3,5-dimethylphenyl)-(2-methylcyclopenta-1,3-dien-1-yl)phosphane

C24H28O2P- — CID 87214745

IUPACbis(4-methoxy-3,5-dimethylphenyl)-(2-methylcyclopenta-1,3-dien-1-yl)phosphane
SMILESCOc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2[cH-]ccc2C)cc1C
InChIInChI=1S/C24H28O2P/c1-15-9-8-10-22(15)27(20-11-16(2)23(25-6)17(3)12-20)21-13-18(4)24(26-7)19(5)14-21/h8-14H,1-7H3/q-1
InChIKeyXHAVYHSMYGBXFC-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.72
Rot. Bonds5

About bis(4-methoxy-3,5-dimethylphenyl)-(2-methylcyclopenta-1,3-dien-1-yl)phosphane

bis(4-methoxy-3,5-dimethylphenyl)-(2-methylcyclopenta-1,3-dien-1-yl)phosphane (PubChem CID 87214745) has the molecular formula C24H28O2P- and a molecular weight of 379.46 g/mol. Its IUPAC name is bis(4-methoxy-3,5-dimethylphenyl)-(2-methylcyclopenta-1,3-dien-1-yl)phosphane.

Molecular Properties

Compound Namebis(4-methoxy-3,5-dimethylphenyl)-(2-methylcyclopenta-1,3-dien-1-yl)phosphane
PubChem CID87214745
Molecular FormulaC24H28O2P-
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Namebis(4-methoxy-3,5-dimethylphenyl)-(2-methylcyclopenta-1,3-dien-1-yl)phosphane
SMILESCOc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2[cH-]ccc2C)cc1C
InChIInChI=1S/C24H28O2P/c1-15-9-8-10-22(15)27(20-11-16(2)23(25-6)17(3)12-20)21-13-18(4)24(26-7)19(5)14-21/h8-14H,1-7H3/q-1
InChIKeyXHAVYHSMYGBXFC-UHFFFAOYSA-N
XLogP4.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(4-methoxy-3,5-dimethylphenyl)-(2-methylcyclopenta-1,3-dien-1-yl)phosphane?
The IUPAC name of bis(4-methoxy-3,5-dimethylphenyl)-(2-methylcyclopenta-1,3-dien-1-yl)phosphane (CID 87214745) is bis(4-methoxy-3,5-dimethylphenyl)-(2-methylcyclopenta-1,3-dien-1-yl)phosphane.
What is the SMILES notation for bis(4-methoxy-3,5-dimethylphenyl)-(2-methylcyclopenta-1,3-dien-1-yl)phosphane?
The canonical SMILES for bis(4-methoxy-3,5-dimethylphenyl)-(2-methylcyclopenta-1,3-dien-1-yl)phosphane is COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2[cH-]ccc2C)cc1C.
What is the InChIKey of bis(4-methoxy-3,5-dimethylphenyl)-(2-methylcyclopenta-1,3-dien-1-yl)phosphane?
The InChIKey is XHAVYHSMYGBXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O2P/c1-15-9-8-10-22(15)27(20-11-16(2)23(25-6)17(3)12-20)21-13-18(4)24(26-7)19(5)14-21/h8-14H,1-7H3/q-1.
What are the key properties of bis(4-methoxy-3,5-dimethylphenyl)-(2-methylcyclopenta-1,3-dien-1-yl)phosphane?
bis(4-methoxy-3,5-dimethylphenyl)-(2-methylcyclopenta-1,3-dien-1-yl)phosphane has a molecular weight of 379.46 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methoxy-3,5-dimethylphenyl)-(2-methylcyclopenta-1,3-dien-1-yl)phosphane is sourced from PubChem (CID 87214745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).