[4-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]phenyl]-phenylmethanone

C18H19O4P — CID 13076621

IUPAC[4-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]phenyl]-phenylmethanone
SMILESCC1(C)COP(Oc2ccc(C(=O)c3ccccc3)cc2)OC1
InChIInChI=1S/C18H19O4P/c1-18(2)12-20-23(21-13-18)22-16-10-8-15(9-11-16)17(19)14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3
InChIKeyXNZNUQJESBSMQX-UHFFFAOYSA-N
MW330.32 g/mol
LogP4.60
Rot. Bonds4

About [4-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]phenyl]-phenylmethanone

[4-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]phenyl]-phenylmethanone (PubChem CID 13076621) has the molecular formula C18H19O4P and a molecular weight of 330.32 g/mol. Its IUPAC name is [4-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]phenyl]-phenylmethanone
PubChem CID13076621
Molecular FormulaC18H19O4P
Molecular Weight330.32 g/mol
Exact Mass330.10
IUPAC Name[4-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]phenyl]-phenylmethanone
SMILESCC1(C)COP(Oc2ccc(C(=O)c3ccccc3)cc2)OC1
InChIInChI=1S/C18H19O4P/c1-18(2)12-20-23(21-13-18)22-16-10-8-15(9-11-16)17(19)14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3
InChIKeyXNZNUQJESBSMQX-UHFFFAOYSA-N
XLogP4.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 54.60
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

[4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-phenylmethanone
CID 135072391
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
[4-[(3,3-dimethyloxiran-2-yl)methoxy]phenyl]-phenylmethanone
CID 88845639
(4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane
CID 91498275
[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-phenylmethanone
CID 90438012
1-methoxy-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene;(4-methoxyphenyl)-phenylmethanone;oxolane
CID 161173543
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
1-(4-benzoylphenoxy)cyclopropane-1-carboxylic acid
CID 156775993
(1-methoxypyridin-1-ium-4-yl)-phenylmethanone
CID 58571610

Frequently Asked Questions

What is the IUPAC name of [4-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]phenyl]-phenylmethanone?
The IUPAC name of [4-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]phenyl]-phenylmethanone (CID 13076621) is [4-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]phenyl]-phenylmethanone?
The canonical SMILES for [4-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]phenyl]-phenylmethanone is CC1(C)COP(Oc2ccc(C(=O)c3ccccc3)cc2)OC1.
What is the InChIKey of [4-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]phenyl]-phenylmethanone?
The InChIKey is XNZNUQJESBSMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19O4P/c1-18(2)12-20-23(21-13-18)22-16-10-8-15(9-11-16)17(19)14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3.
What are the key properties of [4-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]phenyl]-phenylmethanone?
[4-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]phenyl]-phenylmethanone has a molecular weight of 330.32 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]phenyl]-phenylmethanone is sourced from PubChem (CID 13076621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).