1-[chloro(diphenylphosphoryl)methyl]-4-methoxybenzene

C20H18ClO2P — CID 11002796

IUPAC1-[chloro(diphenylphosphoryl)methyl]-4-methoxybenzene
SMILESCOc1ccc(C(Cl)P(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H18ClO2P/c1-23-17-14-12-16(13-15-17)20(21)24(22,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,20H,1H3
InChIKeyUXBWIECBCCEZMC-UHFFFAOYSA-N
MW356.79 g/mol
LogP4.95
Rot. Bonds5

About 1-[chloro(diphenylphosphoryl)methyl]-4-methoxybenzene

1-[chloro(diphenylphosphoryl)methyl]-4-methoxybenzene (PubChem CID 11002796) has the molecular formula C20H18ClO2P and a molecular weight of 356.79 g/mol. Its IUPAC name is 1-[chloro(diphenylphosphoryl)methyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[chloro(diphenylphosphoryl)methyl]-4-methoxybenzene
PubChem CID11002796
Molecular FormulaC20H18ClO2P
Molecular Weight356.79 g/mol
Exact Mass356.07
IUPAC Name1-[chloro(diphenylphosphoryl)methyl]-4-methoxybenzene
SMILESCOc1ccc(C(Cl)P(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H18ClO2P/c1-23-17-14-12-16(13-15-17)20(21)24(22,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,20H,1H3
InChIKeyUXBWIECBCCEZMC-UHFFFAOYSA-N
XLogP4.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S)-2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-ol
CID 13152614
1-[(1R)-1-diphenylphosphoryloxyethyl]-4-methoxybenzene
CID 102079246
1-[(3S)-3-diphenylphosphoryl-3-phenylprop-1-en-2-yl]-4-methoxybenzene
CID 101399397
2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-one
CID 13203114
(3R)-3-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylpropan-1-one
CID 135057690
(1S)-N-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-amine
CID 101087200
2-bis(4-methoxyphenyl)phosphoryl-1,2-diphenylethanone
CID 155683528
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
2-[3-diphenylphosphoryl-3-(4-methoxyphenyl)prop-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 175870467
[(1S,2R)-2-diphenylphosphoryl-4-hydroxy-1-(4-methoxyphenyl)butyl] acetate
CID 11797281
(1S,2R,4R)-2-diphenylphosphoryl-1-(4-methoxyphenyl)octane-1,4-diol
CID 10623509
2-[diphenylphosphoryl-(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene
CID 132549144

Frequently Asked Questions

What is the IUPAC name of 1-[chloro(diphenylphosphoryl)methyl]-4-methoxybenzene?
The IUPAC name of 1-[chloro(diphenylphosphoryl)methyl]-4-methoxybenzene (CID 11002796) is 1-[chloro(diphenylphosphoryl)methyl]-4-methoxybenzene.
What is the SMILES notation for 1-[chloro(diphenylphosphoryl)methyl]-4-methoxybenzene?
The canonical SMILES for 1-[chloro(diphenylphosphoryl)methyl]-4-methoxybenzene is COc1ccc(C(Cl)P(=O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-[chloro(diphenylphosphoryl)methyl]-4-methoxybenzene?
The InChIKey is UXBWIECBCCEZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClO2P/c1-23-17-14-12-16(13-15-17)20(21)24(22,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,20H,1H3.
What are the key properties of 1-[chloro(diphenylphosphoryl)methyl]-4-methoxybenzene?
1-[chloro(diphenylphosphoryl)methyl]-4-methoxybenzene has a molecular weight of 356.79 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(diphenylphosphoryl)methyl]-4-methoxybenzene is sourced from PubChem (CID 11002796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).