dihydroxy-(3-phenylmethoxyphenoxy)-sulfanylidene-λ5-phosphane

C13H13O4PS — CID 141165628

IUPACdihydroxy-(3-phenylmethoxyphenoxy)-sulfanylidene-λ5-phosphane
SMILESOP(O)(=S)Oc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C13H13O4PS/c14-18(15,19)17-13-8-4-7-12(9-13)16-10-11-5-2-1-3-6-11/h1-9H,10H2,(H2,14,15,19)
InChIKeyBEGIGOVFMAVQNW-UHFFFAOYSA-N
MW296.28 g/mol
LogP2.85
Rot. Bonds5

About dihydroxy-(3-phenylmethoxyphenoxy)-sulfanylidene-λ5-phosphane

dihydroxy-(3-phenylmethoxyphenoxy)-sulfanylidene-λ5-phosphane (PubChem CID 141165628) has the molecular formula C13H13O4PS and a molecular weight of 296.28 g/mol. Its IUPAC name is dihydroxy-(3-phenylmethoxyphenoxy)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namedihydroxy-(3-phenylmethoxyphenoxy)-sulfanylidene-λ5-phosphane
PubChem CID141165628
Molecular FormulaC13H13O4PS
Molecular Weight296.28 g/mol
Exact Mass296.03
IUPAC Namedihydroxy-(3-phenylmethoxyphenoxy)-sulfanylidene-λ5-phosphane
SMILESOP(O)(=S)Oc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C13H13O4PS/c14-18(15,19)17-13-8-4-7-12(9-13)16-10-11-5-2-1-3-6-11/h1-9H,10H2,(H2,14,15,19)
InChIKeyBEGIGOVFMAVQNW-UHFFFAOYSA-N
XLogP2.85
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
CID 57238609
CID 57238609
1-(2-bromoethoxy)-3-phenylmethoxybenzene
CID 23294563
CID 57452903
CID 57452903
1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
(2R)-3-(3-phenylmethoxyphenoxy)propane-1,2-diol
CID 129362160
(3-phenylmethoxyphenyl) (2S)-2-aminopropanoate
CID 67767154
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
1-phenylmethoxy-3-propylbenzene
CID 58977798
4-(3-phenylmethoxyphenoxy)aniline
CID 89036367
(3-phenylmethoxyphenyl)methanesulfonamide
CID 165446616
2-(3-phenylmethoxyphenyl)propan-2-ol
CID 13368032

Frequently Asked Questions

What is the IUPAC name of dihydroxy-(3-phenylmethoxyphenoxy)-sulfanylidene-λ5-phosphane?
The IUPAC name of dihydroxy-(3-phenylmethoxyphenoxy)-sulfanylidene-λ5-phosphane (CID 141165628) is dihydroxy-(3-phenylmethoxyphenoxy)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for dihydroxy-(3-phenylmethoxyphenoxy)-sulfanylidene-λ5-phosphane?
The canonical SMILES for dihydroxy-(3-phenylmethoxyphenoxy)-sulfanylidene-λ5-phosphane is OP(O)(=S)Oc1cccc(OCc2ccccc2)c1.
What is the InChIKey of dihydroxy-(3-phenylmethoxyphenoxy)-sulfanylidene-λ5-phosphane?
The InChIKey is BEGIGOVFMAVQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13O4PS/c14-18(15,19)17-13-8-4-7-12(9-13)16-10-11-5-2-1-3-6-11/h1-9H,10H2,(H2,14,15,19).
What are the key properties of dihydroxy-(3-phenylmethoxyphenoxy)-sulfanylidene-λ5-phosphane?
dihydroxy-(3-phenylmethoxyphenoxy)-sulfanylidene-λ5-phosphane has a molecular weight of 296.28 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-(3-phenylmethoxyphenoxy)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 141165628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).