[hydroxymethyl(naphthalen-1-yl)phosphinothioyl]methanol

C12H13O2PS — CID 122391034

IUPAC[hydroxymethyl(naphthalen-1-yl)phosphinothioyl]methanol
SMILESOCP(=S)(CO)c1cccc2ccccc12
InChIInChI=1S/C12H13O2PS/c13-8-15(16,9-14)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13-14H,8-9H2
InChIKeyQEQSLVMWSVBOIE-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.84
Rot. Bonds3

About [hydroxymethyl(naphthalen-1-yl)phosphinothioyl]methanol

[hydroxymethyl(naphthalen-1-yl)phosphinothioyl]methanol (PubChem CID 122391034) has the molecular formula C12H13O2PS and a molecular weight of 252.27 g/mol. Its IUPAC name is [hydroxymethyl(naphthalen-1-yl)phosphinothioyl]methanol.

Molecular Properties

Compound Name[hydroxymethyl(naphthalen-1-yl)phosphinothioyl]methanol
PubChem CID122391034
Molecular FormulaC12H13O2PS
Molecular Weight252.27 g/mol
Exact Mass252.04
IUPAC Name[hydroxymethyl(naphthalen-1-yl)phosphinothioyl]methanol
SMILESOCP(=S)(CO)c1cccc2ccccc12
InChIInChI=1S/C12H13O2PS/c13-8-15(16,9-14)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13-14H,8-9H2
InChIKeyQEQSLVMWSVBOIE-UHFFFAOYSA-N
XLogP1.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.84
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

naphthalen-1-ylphosphonic acid;dihydrochloride
CID 175207516
2-N,3-N-bis(dinaphthalen-1-ylphosphoryl)butane-2,3-diimine
CID 139920617
lithium dinaphthalen-1-ylphosphinate
CID 141248266
1-diphenylphosphorylnaphthalene
CID 11023927
1-diphenylphosphorylnaphthalene;terbium
CID 161386720
dinaphthalen-1-yloxymethanethione
CID 22635249
tetrakis(naphthalen-1-ol);titanium
CID 18400436
naphthalene;naphthalen-1-ol
CID 174561564
phenanthrene;phosphinous acid
CID 174826862
bis(naphthalen-1-ol);phosphoric acid
CID 174499172
1-[[4-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene
CID 58982863
1-[[3-(3-dinaphthalen-1-ylphosphorylphenyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene
CID 88865123

Frequently Asked Questions

What is the IUPAC name of [hydroxymethyl(naphthalen-1-yl)phosphinothioyl]methanol?
The IUPAC name of [hydroxymethyl(naphthalen-1-yl)phosphinothioyl]methanol (CID 122391034) is [hydroxymethyl(naphthalen-1-yl)phosphinothioyl]methanol.
What is the SMILES notation for [hydroxymethyl(naphthalen-1-yl)phosphinothioyl]methanol?
The canonical SMILES for [hydroxymethyl(naphthalen-1-yl)phosphinothioyl]methanol is OCP(=S)(CO)c1cccc2ccccc12.
What is the InChIKey of [hydroxymethyl(naphthalen-1-yl)phosphinothioyl]methanol?
The InChIKey is QEQSLVMWSVBOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13O2PS/c13-8-15(16,9-14)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13-14H,8-9H2.
What are the key properties of [hydroxymethyl(naphthalen-1-yl)phosphinothioyl]methanol?
[hydroxymethyl(naphthalen-1-yl)phosphinothioyl]methanol has a molecular weight of 252.27 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxymethyl(naphthalen-1-yl)phosphinothioyl]methanol is sourced from PubChem (CID 122391034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).