(5-chloro-2-methyl-1H-indol-3-yl)-(3-cyclopropylphenyl)-methoxyphosphane

C19H19ClNOP — CID 143275096

IUPAC(5-chloro-2-methyl-1H-indol-3-yl)-(3-cyclopropylphenyl)-methoxyphosphane
SMILESCOP(c1cccc(C2CC2)c1)c1c(C)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C19H19ClNOP/c1-12-19(17-11-15(20)8-9-18(17)21-12)23(22-2)16-5-3-4-14(10-16)13-6-7-13/h3-5,8-11,13,21H,6-7H2,1-2H3
InChIKeyMOZLAZCLYDCADN-UHFFFAOYSA-N
MW343.79 g/mol
LogP5.00
Rot. Bonds4

About (5-chloro-2-methyl-1H-indol-3-yl)-(3-cyclopropylphenyl)-methoxyphosphane

(5-chloro-2-methyl-1H-indol-3-yl)-(3-cyclopropylphenyl)-methoxyphosphane (PubChem CID 143275096) has the molecular formula C19H19ClNOP and a molecular weight of 343.79 g/mol. Its IUPAC name is (5-chloro-2-methyl-1H-indol-3-yl)-(3-cyclopropylphenyl)-methoxyphosphane.

Molecular Properties

Compound Name(5-chloro-2-methyl-1H-indol-3-yl)-(3-cyclopropylphenyl)-methoxyphosphane
PubChem CID143275096
Molecular FormulaC19H19ClNOP
Molecular Weight343.79 g/mol
Exact Mass343.09
IUPAC Name(5-chloro-2-methyl-1H-indol-3-yl)-(3-cyclopropylphenyl)-methoxyphosphane
SMILESCOP(c1cccc(C2CC2)c1)c1c(C)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C19H19ClNOP/c1-12-19(17-11-15(20)8-9-18(17)21-12)23(22-2)16-5-3-4-14(10-16)13-6-7-13/h3-5,8-11,13,21H,6-7H2,1-2H3
InChIKeyMOZLAZCLYDCADN-UHFFFAOYSA-N
XLogP5.00
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.79
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methyl-1H-indol-3-yl)-(3-cyclopropylphenyl)-methoxyphosphane?
The IUPAC name of (5-chloro-2-methyl-1H-indol-3-yl)-(3-cyclopropylphenyl)-methoxyphosphane (CID 143275096) is (5-chloro-2-methyl-1H-indol-3-yl)-(3-cyclopropylphenyl)-methoxyphosphane.
What is the SMILES notation for (5-chloro-2-methyl-1H-indol-3-yl)-(3-cyclopropylphenyl)-methoxyphosphane?
The canonical SMILES for (5-chloro-2-methyl-1H-indol-3-yl)-(3-cyclopropylphenyl)-methoxyphosphane is COP(c1cccc(C2CC2)c1)c1c(C)[nH]c2ccc(Cl)cc12.
What is the InChIKey of (5-chloro-2-methyl-1H-indol-3-yl)-(3-cyclopropylphenyl)-methoxyphosphane?
The InChIKey is MOZLAZCLYDCADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClNOP/c1-12-19(17-11-15(20)8-9-18(17)21-12)23(22-2)16-5-3-4-14(10-16)13-6-7-13/h3-5,8-11,13,21H,6-7H2,1-2H3.
What are the key properties of (5-chloro-2-methyl-1H-indol-3-yl)-(3-cyclopropylphenyl)-methoxyphosphane?
(5-chloro-2-methyl-1H-indol-3-yl)-(3-cyclopropylphenyl)-methoxyphosphane has a molecular weight of 343.79 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methyl-1H-indol-3-yl)-(3-cyclopropylphenyl)-methoxyphosphane is sourced from PubChem (CID 143275096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).