bis(2-methylphenoxy)-[(2-prop-2-ynylphenyl)methyl]phosphane

C24H23O2P — CID 142544268

IUPACbis(2-methylphenoxy)-[(2-prop-2-ynylphenyl)methyl]phosphane
SMILESC#CCc1ccccc1CP(Oc1ccccc1C)Oc1ccccc1C
InChIInChI=1S/C24H23O2P/c1-4-11-21-14-7-8-15-22(21)18-27(25-23-16-9-5-12-19(23)2)26-24-17-10-6-13-20(24)3/h1,5-10,12-17H,11,18H2,2-3H3
InChIKeySHXMOPIFAUVKLQ-UHFFFAOYSA-N
MW374.42 g/mol
LogP6.45
Rot. Bonds7

About bis(2-methylphenoxy)-[(2-prop-2-ynylphenyl)methyl]phosphane

bis(2-methylphenoxy)-[(2-prop-2-ynylphenyl)methyl]phosphane (PubChem CID 142544268) has the molecular formula C24H23O2P and a molecular weight of 374.42 g/mol. Its IUPAC name is bis(2-methylphenoxy)-[(2-prop-2-ynylphenyl)methyl]phosphane.

Molecular Properties

Compound Namebis(2-methylphenoxy)-[(2-prop-2-ynylphenyl)methyl]phosphane
PubChem CID142544268
Molecular FormulaC24H23O2P
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC Namebis(2-methylphenoxy)-[(2-prop-2-ynylphenyl)methyl]phosphane
SMILESC#CCc1ccccc1CP(Oc1ccccc1C)Oc1ccccc1C
InChIInChI=1S/C24H23O2P/c1-4-11-21-14-7-8-15-22(21)18-27(25-23-16-9-5-12-19(23)2)26-24-17-10-6-13-20(24)3/h1,5-10,12-17H,11,18H2,2-3H3
InChIKeySHXMOPIFAUVKLQ-UHFFFAOYSA-N
XLogP6.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.42
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-prop-2-ynylphenol
CID 19103109
tris(2-methylphenyl) phosphite dichloride
CID 23333528
1,2-dimethoxy-3-prop-2-ynylbenzene
CID 119082494
2-[2-methoxy-3-(2-methylphenoxy)phenyl]acetonitrile
CID 20513415
[2-[2-bis(2-methylphenoxy)phosphanylphenyl]phenyl]-bis(2-methylphenoxy)phosphane
CID 141260368
ethane;1-methyl-2-(2-methylphenoxy)benzene
CID 90755051
2-prop-2-ynylphenol
CID 11658299
methoxy-(2-methylphenoxy)-phenylphosphane
CID 174536732
2-[2-[(2,3-dimethylphenoxy)methyl]phenyl]acetonitrile
CID 22356632
N-[2-(2-methylphenoxy)ethyl]prop-2-yn-1-amine
CID 60695074
(NZ)-N-[(2-methyl-6-prop-2-ynylphenyl)methylidene]hydroxylamine
CID 173289314
[2-[2-[bis(2-methylphenoxy)phosphanylmethyl]-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-diphenylphosphane
CID 70947694

Frequently Asked Questions

What is the IUPAC name of bis(2-methylphenoxy)-[(2-prop-2-ynylphenyl)methyl]phosphane?
The IUPAC name of bis(2-methylphenoxy)-[(2-prop-2-ynylphenyl)methyl]phosphane (CID 142544268) is bis(2-methylphenoxy)-[(2-prop-2-ynylphenyl)methyl]phosphane.
What is the SMILES notation for bis(2-methylphenoxy)-[(2-prop-2-ynylphenyl)methyl]phosphane?
The canonical SMILES for bis(2-methylphenoxy)-[(2-prop-2-ynylphenyl)methyl]phosphane is C#CCc1ccccc1CP(Oc1ccccc1C)Oc1ccccc1C.
What is the InChIKey of bis(2-methylphenoxy)-[(2-prop-2-ynylphenyl)methyl]phosphane?
The InChIKey is SHXMOPIFAUVKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23O2P/c1-4-11-21-14-7-8-15-22(21)18-27(25-23-16-9-5-12-19(23)2)26-24-17-10-6-13-20(24)3/h1,5-10,12-17H,11,18H2,2-3H3.
What are the key properties of bis(2-methylphenoxy)-[(2-prop-2-ynylphenyl)methyl]phosphane?
bis(2-methylphenoxy)-[(2-prop-2-ynylphenyl)methyl]phosphane has a molecular weight of 374.42 g/mol, XLogP of 6.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylphenoxy)-[(2-prop-2-ynylphenyl)methyl]phosphane is sourced from PubChem (CID 142544268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).