[(4-methoxy-2,3,5-trimethylphenyl)-phenylmethyl]phosphane

C17H21OP — CID 87085516

IUPAC[(4-methoxy-2,3,5-trimethylphenyl)-phenylmethyl]phosphane
SMILESCOc1c(C)cc(C(P)c2ccccc2)c(C)c1C
InChIInChI=1S/C17H21OP/c1-11-10-15(12(2)13(3)16(11)18-4)17(19)14-8-6-5-7-9-14/h5-10,17H,19H2,1-4H3
InChIKeyAICMJDUUTMOTNP-UHFFFAOYSA-N
MW272.33 g/mol
LogP4.58
Rot. Bonds3

About [(4-methoxy-2,3,5-trimethylphenyl)-phenylmethyl]phosphane

[(4-methoxy-2,3,5-trimethylphenyl)-phenylmethyl]phosphane (PubChem CID 87085516) has the molecular formula C17H21OP and a molecular weight of 272.33 g/mol. Its IUPAC name is [(4-methoxy-2,3,5-trimethylphenyl)-phenylmethyl]phosphane.

Molecular Properties

Compound Name[(4-methoxy-2,3,5-trimethylphenyl)-phenylmethyl]phosphane
PubChem CID87085516
Molecular FormulaC17H21OP
Molecular Weight272.33 g/mol
Exact Mass272.13
IUPAC Name[(4-methoxy-2,3,5-trimethylphenyl)-phenylmethyl]phosphane
SMILESCOc1c(C)cc(C(P)c2ccccc2)c(C)c1C
InChIInChI=1S/C17H21OP/c1-11-10-15(12(2)13(3)16(11)18-4)17(19)14-8-6-5-7-9-14/h5-10,17H,19H2,1-4H3
InChIKeyAICMJDUUTMOTNP-UHFFFAOYSA-N
XLogP4.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methoxy-(4-methoxy-2,3,5-trimethylphenyl)methanamine
CID 116947288
1-[2-chloro-1-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-4-methoxy-2,3,5-trimethylbenzene
CID 88767616
1-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)-N-methylmethanamine
CID 116961496
[(2,3-dimethylphenyl)-phenylmethyl]phosphane
CID 67637455
bromo-(4-methoxy-2,3,5-trimethylphenyl)methanamine
CID 116947618
(4-methoxy-2,3,5-trimethylphenyl)-(methylamino)methanol
CID 116954672
1-benzhydryl-5-tert-butyl-2-methoxy-3-methylbenzene;ethane
CID 145349337
1-(4-methoxy-2,3,5-trimethylphenyl)propane-1,3-diamine
CID 116932790
1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylsulfanylethanol
CID 116830198
4-methoxy-3,5-dimethyl-N-(1-phenylethyl)aniline
CID 135065193
1-(4-methoxy-2,3,5-trimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 116904827
2-cyclopropyl-2-(4-methoxy-2,3,5-trimethylphenyl)acetic acid
CID 82480271

Frequently Asked Questions

What is the IUPAC name of [(4-methoxy-2,3,5-trimethylphenyl)-phenylmethyl]phosphane?
The IUPAC name of [(4-methoxy-2,3,5-trimethylphenyl)-phenylmethyl]phosphane (CID 87085516) is [(4-methoxy-2,3,5-trimethylphenyl)-phenylmethyl]phosphane.
What is the SMILES notation for [(4-methoxy-2,3,5-trimethylphenyl)-phenylmethyl]phosphane?
The canonical SMILES for [(4-methoxy-2,3,5-trimethylphenyl)-phenylmethyl]phosphane is COc1c(C)cc(C(P)c2ccccc2)c(C)c1C.
What is the InChIKey of [(4-methoxy-2,3,5-trimethylphenyl)-phenylmethyl]phosphane?
The InChIKey is AICMJDUUTMOTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21OP/c1-11-10-15(12(2)13(3)16(11)18-4)17(19)14-8-6-5-7-9-14/h5-10,17H,19H2,1-4H3.
What are the key properties of [(4-methoxy-2,3,5-trimethylphenyl)-phenylmethyl]phosphane?
[(4-methoxy-2,3,5-trimethylphenyl)-phenylmethyl]phosphane has a molecular weight of 272.33 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-methoxy-2,3,5-trimethylphenyl)-phenylmethyl]phosphane is sourced from PubChem (CID 87085516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).