methylphosphane;methyl pyrene-1-carboxylate

C19H17O2P — CID 174549846

IUPACmethylphosphane;methyl pyrene-1-carboxylate
SMILESCOC(=O)c1ccc2ccc3cccc4ccc1c2c34.CP
InChIInChI=1S/C18H12O2.CH5P/c1-20-18(19)15-10-8-13-6-5-11-3-2-4-12-7-9-14(15)17(13)16(11)12;1-2/h2-10H,1H3;2H2,1H3
InChIKeyZBPLFDPEUAXDFH-UHFFFAOYSA-N
MW308.32 g/mol
LogP4.86
Rot. Bonds1

About methylphosphane;methyl pyrene-1-carboxylate

methylphosphane;methyl pyrene-1-carboxylate (PubChem CID 174549846) has the molecular formula C19H17O2P and a molecular weight of 308.32 g/mol. Its IUPAC name is methylphosphane;methyl pyrene-1-carboxylate.

Molecular Properties

Compound Namemethylphosphane;methyl pyrene-1-carboxylate
PubChem CID174549846
Molecular FormulaC19H17O2P
Molecular Weight308.32 g/mol
Exact Mass308.10
IUPAC Namemethylphosphane;methyl pyrene-1-carboxylate
SMILESCOC(=O)c1ccc2ccc3cccc4ccc1c2c34.CP
InChIInChI=1S/C18H12O2.CH5P/c1-20-18(19)15-10-8-13-6-5-11-3-2-4-12-7-9-14(15)17(13)16(11)12;1-2/h2-10H,1H3;2H2,1H3
InChIKeyZBPLFDPEUAXDFH-UHFFFAOYSA-N
XLogP4.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-(pyrene-1-carbonyloxy)butyl pyrene-1-carboxylate
CID 101008536
methyl 3-pyren-1-ylbut-2-enoate
CID 3297652
methyl 1-phenylmethoxybenzo[g]phenanthrene-4-carboxylate
CID 11090467
pyrene-1-carbonyl bromide
CID 175286492
benzyl pyrene-1-carboxylate
CID 71374749
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
(2-hydroxyphenyl)-pyren-1-ylmethanone;(2-methoxyphenyl)-pyren-1-ylmethanone;pyrene
CID 159155150
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
dimethyl naphthalene-1,6-dicarboxylate
CID 11459190
methyl 7-hydroxy-8-(2-hydroxy-8-methoxycarbonylnaphthalen-1-yl)naphthalene-1-carboxylate
CID 139815769
2-bromo-1-pyren-1-ylpropan-1-one
CID 87512368
dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate
CID 10682339

Frequently Asked Questions

What is the IUPAC name of methylphosphane;methyl pyrene-1-carboxylate?
The IUPAC name of methylphosphane;methyl pyrene-1-carboxylate (CID 174549846) is methylphosphane;methyl pyrene-1-carboxylate.
What is the SMILES notation for methylphosphane;methyl pyrene-1-carboxylate?
The canonical SMILES for methylphosphane;methyl pyrene-1-carboxylate is COC(=O)c1ccc2ccc3cccc4ccc1c2c34.CP.
What is the InChIKey of methylphosphane;methyl pyrene-1-carboxylate?
The InChIKey is ZBPLFDPEUAXDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O2.CH5P/c1-20-18(19)15-10-8-13-6-5-11-3-2-4-12-7-9-14(15)17(13)16(11)12;1-2/h2-10H,1H3;2H2,1H3.
What are the key properties of methylphosphane;methyl pyrene-1-carboxylate?
methylphosphane;methyl pyrene-1-carboxylate has a molecular weight of 308.32 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylphosphane;methyl pyrene-1-carboxylate is sourced from PubChem (CID 174549846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).