[2-(2,5-dimethylpyrrol-1-yl)-6-methoxyphenyl]-di(propan-2-yl)phosphane

C19H28NOP — CID 118477693

IUPAC[2-(2,5-dimethylpyrrol-1-yl)-6-methoxyphenyl]-di(propan-2-yl)phosphane
SMILESCOc1cccc(-n2c(C)ccc2C)c1P(C(C)C)C(C)C
InChIInChI=1S/C19H28NOP/c1-13(2)22(14(3)4)19-17(9-8-10-18(19)21-7)20-15(5)11-12-16(20)6/h8-14H,1-7H3
InChIKeyBWRBFWWZLJDSDQ-UHFFFAOYSA-N
MW317.41 g/mol
LogP5.03
Rot. Bonds5

About [2-(2,5-dimethylpyrrol-1-yl)-6-methoxyphenyl]-di(propan-2-yl)phosphane

[2-(2,5-dimethylpyrrol-1-yl)-6-methoxyphenyl]-di(propan-2-yl)phosphane (PubChem CID 118477693) has the molecular formula C19H28NOP and a molecular weight of 317.41 g/mol. Its IUPAC name is [2-(2,5-dimethylpyrrol-1-yl)-6-methoxyphenyl]-di(propan-2-yl)phosphane.

Molecular Properties

Compound Name[2-(2,5-dimethylpyrrol-1-yl)-6-methoxyphenyl]-di(propan-2-yl)phosphane
PubChem CID118477693
Molecular FormulaC19H28NOP
Molecular Weight317.41 g/mol
Exact Mass317.19
IUPAC Name[2-(2,5-dimethylpyrrol-1-yl)-6-methoxyphenyl]-di(propan-2-yl)phosphane
SMILESCOc1cccc(-n2c(C)ccc2C)c1P(C(C)C)C(C)C
InChIInChI=1S/C19H28NOP/c1-13(2)22(14(3)4)19-17(9-8-10-18(19)21-7)20-15(5)11-12-16(20)6/h8-14H,1-7H3
InChIKeyBWRBFWWZLJDSDQ-UHFFFAOYSA-N
XLogP5.03
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.41
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [2-(2,5-dimethylpyrrol-1-yl)-6-methoxyphenyl]-di(propan-2-yl)phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-carbazol-9-yl-6-methoxyphenyl)-methyl-phosphanylphosphane
CID 129309761
(2-carbazol-9-yl-6-methoxyphenyl)-diphenylphosphane
CID 118467175
2,5-dimethyl-1-(3,4,5-trimethoxyphenyl)pyrrole
CID 43394694
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
2-(2,5-dimethylpyrrol-1-yl)benzenethiol
CID 2781107
[2-[[2-di(propan-2-yl)phosphanylphenyl]-(2-methoxyphenyl)methyl]phenyl]-di(propan-2-yl)phosphane
CID 139112665
1-[(2S)-butan-2-yl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine-1,4-diium
CID 6948174
1-(1-fluoropropyl)-2,3-dimethoxybenzene
CID 91020266
bis(2-methoxyphenyl)-dimethylphosphanium
CID 102310602
9-(2,6-dimethoxyphenyl)carbazole
CID 58050238
(2,3-dimethoxyphenyl) methyl carbonate
CID 19833381
(2-carbazol-9-yl-6-methoxyphenyl)-methylphosphane
CID 129309635

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylpyrrol-1-yl)-6-methoxyphenyl]-di(propan-2-yl)phosphane?
The IUPAC name of [2-(2,5-dimethylpyrrol-1-yl)-6-methoxyphenyl]-di(propan-2-yl)phosphane (CID 118477693) is [2-(2,5-dimethylpyrrol-1-yl)-6-methoxyphenyl]-di(propan-2-yl)phosphane.
What is the SMILES notation for [2-(2,5-dimethylpyrrol-1-yl)-6-methoxyphenyl]-di(propan-2-yl)phosphane?
The canonical SMILES for [2-(2,5-dimethylpyrrol-1-yl)-6-methoxyphenyl]-di(propan-2-yl)phosphane is COc1cccc(-n2c(C)ccc2C)c1P(C(C)C)C(C)C.
What is the InChIKey of [2-(2,5-dimethylpyrrol-1-yl)-6-methoxyphenyl]-di(propan-2-yl)phosphane?
The InChIKey is BWRBFWWZLJDSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28NOP/c1-13(2)22(14(3)4)19-17(9-8-10-18(19)21-7)20-15(5)11-12-16(20)6/h8-14H,1-7H3.
What are the key properties of [2-(2,5-dimethylpyrrol-1-yl)-6-methoxyphenyl]-di(propan-2-yl)phosphane?
[2-(2,5-dimethylpyrrol-1-yl)-6-methoxyphenyl]-di(propan-2-yl)phosphane has a molecular weight of 317.41 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylpyrrol-1-yl)-6-methoxyphenyl]-di(propan-2-yl)phosphane is sourced from PubChem (CID 118477693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).