[3-[di(propan-2-yl)phosphanylmethyl]-2-methoxyphenyl]methyl-di(propan-2-yl)phosphane

C21H38OP2 — CID 101358929

IUPAC[3-[di(propan-2-yl)phosphanylmethyl]-2-methoxyphenyl]methyl-di(propan-2-yl)phosphane
SMILESCOc1c(CP(C(C)C)C(C)C)cccc1CP(C(C)C)C(C)C
InChIInChI=1S/C21H38OP2/c1-15(2)23(16(3)4)13-19-11-10-12-20(21(19)22-9)14-24(17(5)6)18(7)8/h10-12,15-18H,13-14H2,1-9H3
InChIKeyHZHRQJGAXSJFBK-UHFFFAOYSA-N
MW368.48 g/mol
LogP7.29
Rot. Bonds9

About [3-[di(propan-2-yl)phosphanylmethyl]-2-methoxyphenyl]methyl-di(propan-2-yl)phosphane

[3-[di(propan-2-yl)phosphanylmethyl]-2-methoxyphenyl]methyl-di(propan-2-yl)phosphane (PubChem CID 101358929) has the molecular formula C21H38OP2 and a molecular weight of 368.48 g/mol. Its IUPAC name is [3-[di(propan-2-yl)phosphanylmethyl]-2-methoxyphenyl]methyl-di(propan-2-yl)phosphane.

Molecular Properties

Compound Name[3-[di(propan-2-yl)phosphanylmethyl]-2-methoxyphenyl]methyl-di(propan-2-yl)phosphane
PubChem CID101358929
Molecular FormulaC21H38OP2
Molecular Weight368.48 g/mol
Exact Mass368.24
IUPAC Name[3-[di(propan-2-yl)phosphanylmethyl]-2-methoxyphenyl]methyl-di(propan-2-yl)phosphane
SMILESCOc1c(CP(C(C)C)C(C)C)cccc1CP(C(C)C)C(C)C
InChIInChI=1S/C21H38OP2/c1-15(2)23(16(3)4)13-19-11-10-12-20(21(19)22-9)14-24(17(5)6)18(7)8/h10-12,15-18H,13-14H2,1-9H3
InChIKeyHZHRQJGAXSJFBK-UHFFFAOYSA-N
XLogP7.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 57.29
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

2,6-bis[di(propan-2-yl)phosphanylmethyl]phenolate
CID 101358927
1-(bromomethyl)-3-ethyl-2-methoxybenzene
CID 126971204
1-(3-ethyl-2-methoxyphenyl)ethanol
CID 84657475
[3-(2-aminopropyl)-2-methoxyphenyl]methanol
CID 117285472
1-(3-bromo-2-methoxyphenyl)propan-2-ol
CID 83675437
2-methoxy-1-methyl-3-(2-methylpropyl)benzene
CID 14665596
1-(2-methoxy-3-methylphenyl)propan-2-amine
CID 3029797
1-[2-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol
CID 117339947
1-(2-methoxy-3-methylsulfanylphenyl)propan-2-amine
CID 117302169
2-[2-methoxy-3-(methoxymethyl)phenyl]acetic acid
CID 83884874
2-[3-(fluoromethyl)-2-methoxyphenyl]propan-1-amine
CID 84667736
3-[2-methoxy-3-(2-methylpropoxy)phenyl]propan-1-ol
CID 82161152

Frequently Asked Questions

What is the IUPAC name of [3-[di(propan-2-yl)phosphanylmethyl]-2-methoxyphenyl]methyl-di(propan-2-yl)phosphane?
The IUPAC name of [3-[di(propan-2-yl)phosphanylmethyl]-2-methoxyphenyl]methyl-di(propan-2-yl)phosphane (CID 101358929) is [3-[di(propan-2-yl)phosphanylmethyl]-2-methoxyphenyl]methyl-di(propan-2-yl)phosphane.
What is the SMILES notation for [3-[di(propan-2-yl)phosphanylmethyl]-2-methoxyphenyl]methyl-di(propan-2-yl)phosphane?
The canonical SMILES for [3-[di(propan-2-yl)phosphanylmethyl]-2-methoxyphenyl]methyl-di(propan-2-yl)phosphane is COc1c(CP(C(C)C)C(C)C)cccc1CP(C(C)C)C(C)C.
What is the InChIKey of [3-[di(propan-2-yl)phosphanylmethyl]-2-methoxyphenyl]methyl-di(propan-2-yl)phosphane?
The InChIKey is HZHRQJGAXSJFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38OP2/c1-15(2)23(16(3)4)13-19-11-10-12-20(21(19)22-9)14-24(17(5)6)18(7)8/h10-12,15-18H,13-14H2,1-9H3.
What are the key properties of [3-[di(propan-2-yl)phosphanylmethyl]-2-methoxyphenyl]methyl-di(propan-2-yl)phosphane?
[3-[di(propan-2-yl)phosphanylmethyl]-2-methoxyphenyl]methyl-di(propan-2-yl)phosphane has a molecular weight of 368.48 g/mol, XLogP of 7.29, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[di(propan-2-yl)phosphanylmethyl]-2-methoxyphenyl]methyl-di(propan-2-yl)phosphane is sourced from PubChem (CID 101358929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).