[3-(benzenesulfonyl)-4-phosphanyloxyphenyl]methanol

C13H13O4PS — CID 142168175

IUPAC[3-(benzenesulfonyl)-4-phosphanyloxyphenyl]methanol
SMILESO=S(=O)(c1ccccc1)c1cc(CO)ccc1OP
InChIInChI=1S/C13H13O4PS/c14-9-10-6-7-12(17-18)13(8-10)19(15,16)11-4-2-1-3-5-11/h1-8,14H,9,18H2
InChIKeyDRQJCUJMZVTOFL-UHFFFAOYSA-N
MW296.28 g/mol
LogP2.18
Rot. Bonds4

About [3-(benzenesulfonyl)-4-phosphanyloxyphenyl]methanol

[3-(benzenesulfonyl)-4-phosphanyloxyphenyl]methanol (PubChem CID 142168175) has the molecular formula C13H13O4PS and a molecular weight of 296.28 g/mol. Its IUPAC name is [3-(benzenesulfonyl)-4-phosphanyloxyphenyl]methanol.

Molecular Properties

Compound Name[3-(benzenesulfonyl)-4-phosphanyloxyphenyl]methanol
PubChem CID142168175
Molecular FormulaC13H13O4PS
Molecular Weight296.28 g/mol
Exact Mass296.03
IUPAC Name[3-(benzenesulfonyl)-4-phosphanyloxyphenyl]methanol
SMILESO=S(=O)(c1ccccc1)c1cc(CO)ccc1OP
InChIInChI=1S/C13H13O4PS/c14-9-10-6-7-12(17-18)13(8-10)19(15,16)11-4-2-1-3-5-11/h1-8,14H,9,18H2
InChIKeyDRQJCUJMZVTOFL-UHFFFAOYSA-N
XLogP2.18
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-methoxy-4-phosphanyloxyphenyl)methanol
CID 89023367
5-(hydroxymethyl)-2-methoxybenzenesulfonic acid
CID 87294269
[4-[4-(hydroxymethyl)phenyl]sulfonylphenyl]methanol
CID 572397
(3-phenyl-4-phenylmethoxyphenyl)methanol
CID 164896135
1,2-bis(benzenesulfonyl)benzene
CID 19980733
N-benzyl-5-(hydroxymethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 113241762
2,4-bis(benzenesulfonyl)-1-propan-2-yloxybenzene
CID 19349290
[4-(benzenesulfonyl)-3-methylthiophen-2-yl]methanol
CID 20648938
2-[3-(benzenesulfonyl)-4-sulfanylphenoxy]ethanol
CID 175158085
1,5-bis(benzenesulfonyl)-2-ethoxy-4-methylbenzene
CID 19349214
2-[3-(benzenesulfonyl)-1H-indol-5-yl]ethanol
CID 58955092
3-[3-(hydroxymethyl)phenyl]sulfonylbenzoic acid
CID 154157904

Frequently Asked Questions

What is the IUPAC name of [3-(benzenesulfonyl)-4-phosphanyloxyphenyl]methanol?
The IUPAC name of [3-(benzenesulfonyl)-4-phosphanyloxyphenyl]methanol (CID 142168175) is [3-(benzenesulfonyl)-4-phosphanyloxyphenyl]methanol.
What is the SMILES notation for [3-(benzenesulfonyl)-4-phosphanyloxyphenyl]methanol?
The canonical SMILES for [3-(benzenesulfonyl)-4-phosphanyloxyphenyl]methanol is O=S(=O)(c1ccccc1)c1cc(CO)ccc1OP.
What is the InChIKey of [3-(benzenesulfonyl)-4-phosphanyloxyphenyl]methanol?
The InChIKey is DRQJCUJMZVTOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13O4PS/c14-9-10-6-7-12(17-18)13(8-10)19(15,16)11-4-2-1-3-5-11/h1-8,14H,9,18H2.
What are the key properties of [3-(benzenesulfonyl)-4-phosphanyloxyphenyl]methanol?
[3-(benzenesulfonyl)-4-phosphanyloxyphenyl]methanol has a molecular weight of 296.28 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzenesulfonyl)-4-phosphanyloxyphenyl]methanol is sourced from PubChem (CID 142168175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).