(3-methylphenyl)-phenoxy-phenylphosphane

Name: (3-methylphenyl)-phenoxy-phenylphosphane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₉H₁₇OP — CID 145412543

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(3-methylphenyl)-phenoxy-phenylphosphane

SMILESCc1cccc(P(Oc2ccccc2)c2ccccc2)c1

InChIInChI=1S/C19H17OP/c1-16-9-8-14-19(15-16)21(18-12-6-3-7-13-18)20-17-10-4-2-5-11-17/h2-15H,1H3

InChIKeyXMXBKQWHNDUYFG-UHFFFAOYSA-N

MW292.32 g/mol

LogP4.42

Rot. Bonds4

About (3-methylphenyl)-phenoxy-phenylphosphane

(3-methylphenyl)-phenoxy-phenylphosphane (PubChem CID 145412543) has the molecular formula C₁₉H₁₇OP and a molecular weight of 292.32 g/mol. Its IUPAC name is (3-methylphenyl)-phenoxy-phenylphosphane.

Molecular Properties

Compound Name	(3-methylphenyl)-phenoxy-phenylphosphane
PubChem CID	145412543
Molecular Formula	C₁₉H₁₇OP
Molecular Weight	292.32 g/mol
Exact Mass	292.10
IUPAC Name	(3-methylphenyl)-phenoxy-phenylphosphane
SMILES	Cc1cccc(P(Oc2ccccc2)c2ccccc2)c1
InChI	InChI=1S/C19H17OP/c1-16-9-8-14-19(15-16)21(18-12-6-3-7-13-18)20-17-10-4-2-5-11-17/h2-15H,1H3
InChIKey	XMXBKQWHNDUYFG-UHFFFAOYSA-N
XLogP	4.42
TPSA	9.23 Å²
H-Bond Donors
H-Bond Acceptors	1
Rotatable Bonds	4
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	292.32
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-phenoxy-phenylphosphane?

The IUPAC name of (3-methylphenyl)-phenoxy-phenylphosphane (CID 145412543) is (3-methylphenyl)-phenoxy-phenylphosphane.

What is the SMILES notation for (3-methylphenyl)-phenoxy-phenylphosphane?

The canonical SMILES for (3-methylphenyl)-phenoxy-phenylphosphane is Cc1cccc(P(Oc2ccccc2)c2ccccc2)c1.

What is the InChIKey of (3-methylphenyl)-phenoxy-phenylphosphane?

The InChIKey is XMXBKQWHNDUYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17OP/c1-16-9-8-14-19(15-16)21(18-12-6-3-7-13-18)20-17-10-4-2-5-11-17/h2-15H,1H3.

What are the key properties of (3-methylphenyl)-phenoxy-phenylphosphane?

(3-methylphenyl)-phenoxy-phenylphosphane has a molecular weight of 292.32 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (3-methylphenyl)-phenoxy-phenylphosphane is sourced from PubChem (CID 145412543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 145412543 — identifiers, structure, computed properties (public domain)

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