(2-methylphenoxy)-[1-[[2-(2-methylphenoxy)phosphanyloxynaphthalen-1-yl]methyl]naphthalen-2-yl]oxyphosphane

C35H30O4P2 — CID 54294686

IUPAC(2-methylphenoxy)-[1-[[2-(2-methylphenoxy)phosphanyloxynaphthalen-1-yl]methyl]naphthalen-2-yl]oxyphosphane
SMILESCc1ccccc1OPOc1ccc2ccccc2c1Cc1c(OPOc2ccccc2C)ccc2ccccc12
InChIInChI=1S/C35H30O4P2/c1-24-11-3-9-17-32(24)36-40-38-34-21-19-26-13-5-7-15-28(26)30(34)23-31-29-16-8-6-14-27(29)20-22-35(31)39-41-37-33-18-10-4-12-25(33)2/h3-22,40-41H,23H2,1-2H3
InChIKeyRZYTZFBMNZQHGL-UHFFFAOYSA-N
MW576.57 g/mol
LogP10.13
Rot. Bonds10

About (2-methylphenoxy)-[1-[[2-(2-methylphenoxy)phosphanyloxynaphthalen-1-yl]methyl]naphthalen-2-yl]oxyphosphane

(2-methylphenoxy)-[1-[[2-(2-methylphenoxy)phosphanyloxynaphthalen-1-yl]methyl]naphthalen-2-yl]oxyphosphane (PubChem CID 54294686) has the molecular formula C35H30O4P2 and a molecular weight of 576.57 g/mol. Its IUPAC name is (2-methylphenoxy)-[1-[[2-(2-methylphenoxy)phosphanyloxynaphthalen-1-yl]methyl]naphthalen-2-yl]oxyphosphane.

Molecular Properties

Compound Name(2-methylphenoxy)-[1-[[2-(2-methylphenoxy)phosphanyloxynaphthalen-1-yl]methyl]naphthalen-2-yl]oxyphosphane
PubChem CID54294686
Molecular FormulaC35H30O4P2
Molecular Weight576.57 g/mol
Exact Mass576.16
IUPAC Name(2-methylphenoxy)-[1-[[2-(2-methylphenoxy)phosphanyloxynaphthalen-1-yl]methyl]naphthalen-2-yl]oxyphosphane
SMILESCc1ccccc1OPOc1ccc2ccccc2c1Cc1c(OPOc2ccccc2C)ccc2ccccc12
InChIInChI=1S/C35H30O4P2/c1-24-11-3-9-17-32(24)36-40-38-34-21-19-26-13-5-7-15-28(26)30(34)23-31-29-16-8-6-14-27(29)20-22-35(31)39-41-37-33-18-10-4-12-25(33)2/h3-22,40-41H,23H2,1-2H3
InChIKeyRZYTZFBMNZQHGL-UHFFFAOYSA-N
XLogP10.13
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.57
LogP ≤ 510.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-1,6-bis[(2-methoxynaphthalen-1-yl)methyl]naphthalene
CID 139095345
2-[2-(2-methylphenoxy)ethoxy]naphthalene-1-carboxylic acid
CID 22685904
[2-methyl-6-[(2-methylphenoxy)phosphanyloxymethyl]-4-methylsulfanylphenoxy]-(2-methylphenoxy)phosphane
CID 142850509
9-(anthracen-9-ylmethyl)anthracene;ethane
CID 91026872
1-benzyl-2-ethoxynaphthalene
CID 12064074
1-fluoro-2-(2-methoxy-6-methylphenyl)naphthalene
CID 165003096
chrysen-1-yl (2-methylphenyl) carbonate
CID 175197384
2-[[4-methyl-2,6-bis[[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]phenoxy]methyl]oxirane
CID 118360921
2-propan-2-yloxynaphthalen-1-ol
CID 23272530
1-methoxy-2-methylbenzene;1-methoxy-2,3,4-trimethylbenzene
CID 175567040
1-[[2-(dimethylamino)naphthalen-1-yl]methyl]-N,N-dimethylnaphthalen-2-amine
CID 15514899
3-(2-methoxynaphthalen-1-yl)-N,N-dimethylpropan-1-amine
CID 170865305

Frequently Asked Questions

What is the IUPAC name of (2-methylphenoxy)-[1-[[2-(2-methylphenoxy)phosphanyloxynaphthalen-1-yl]methyl]naphthalen-2-yl]oxyphosphane?
The IUPAC name of (2-methylphenoxy)-[1-[[2-(2-methylphenoxy)phosphanyloxynaphthalen-1-yl]methyl]naphthalen-2-yl]oxyphosphane (CID 54294686) is (2-methylphenoxy)-[1-[[2-(2-methylphenoxy)phosphanyloxynaphthalen-1-yl]methyl]naphthalen-2-yl]oxyphosphane.
What is the SMILES notation for (2-methylphenoxy)-[1-[[2-(2-methylphenoxy)phosphanyloxynaphthalen-1-yl]methyl]naphthalen-2-yl]oxyphosphane?
The canonical SMILES for (2-methylphenoxy)-[1-[[2-(2-methylphenoxy)phosphanyloxynaphthalen-1-yl]methyl]naphthalen-2-yl]oxyphosphane is Cc1ccccc1OPOc1ccc2ccccc2c1Cc1c(OPOc2ccccc2C)ccc2ccccc12.
What is the InChIKey of (2-methylphenoxy)-[1-[[2-(2-methylphenoxy)phosphanyloxynaphthalen-1-yl]methyl]naphthalen-2-yl]oxyphosphane?
The InChIKey is RZYTZFBMNZQHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30O4P2/c1-24-11-3-9-17-32(24)36-40-38-34-21-19-26-13-5-7-15-28(26)30(34)23-31-29-16-8-6-14-27(29)20-22-35(31)39-41-37-33-18-10-4-12-25(33)2/h3-22,40-41H,23H2,1-2H3.
What are the key properties of (2-methylphenoxy)-[1-[[2-(2-methylphenoxy)phosphanyloxynaphthalen-1-yl]methyl]naphthalen-2-yl]oxyphosphane?
(2-methylphenoxy)-[1-[[2-(2-methylphenoxy)phosphanyloxynaphthalen-1-yl]methyl]naphthalen-2-yl]oxyphosphane has a molecular weight of 576.57 g/mol, XLogP of 10.13, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenoxy)-[1-[[2-(2-methylphenoxy)phosphanyloxynaphthalen-1-yl]methyl]naphthalen-2-yl]oxyphosphane is sourced from PubChem (CID 54294686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).