hydroxy-(4-methylphenoxy)-phenylmethoxy-sulfanylidene-λ5-phosphane

C14H15O3PS — CID 174823623

IUPAChydroxy-(4-methylphenoxy)-phenylmethoxy-sulfanylidene-λ5-phosphane
SMILESCc1ccc(OP(O)(=S)OCc2ccccc2)cc1
InChIInChI=1S/C14H15O3PS/c1-12-7-9-14(10-8-12)17-18(15,19)16-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,15,19)
InChIKeyXMSJISHRYZVNPH-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.81
Rot. Bonds5

About hydroxy-(4-methylphenoxy)-phenylmethoxy-sulfanylidene-λ5-phosphane

hydroxy-(4-methylphenoxy)-phenylmethoxy-sulfanylidene-λ5-phosphane (PubChem CID 174823623) has the molecular formula C14H15O3PS and a molecular weight of 294.31 g/mol. Its IUPAC name is hydroxy-(4-methylphenoxy)-phenylmethoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namehydroxy-(4-methylphenoxy)-phenylmethoxy-sulfanylidene-λ5-phosphane
PubChem CID174823623
Molecular FormulaC14H15O3PS
Molecular Weight294.31 g/mol
Exact Mass294.05
IUPAC Namehydroxy-(4-methylphenoxy)-phenylmethoxy-sulfanylidene-λ5-phosphane
SMILESCc1ccc(OP(O)(=S)OCc2ccccc2)cc1
InChIInChI=1S/C14H15O3PS/c1-12-7-9-14(10-8-12)17-18(15,19)16-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,15,19)
InChIKeyXMSJISHRYZVNPH-UHFFFAOYSA-N
XLogP3.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hydroperoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane
CID 174646420
dodecoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane
CID 174560483
benzyl (4-methylphenyl) carbonate
CID 118690287
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
[4-bis(phenylmethoxy)phosphoryloxyphenyl] acetate
CID 163952948
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168
zinc bis(bis(phenylmethoxy)-sulfanylidene-sulfido-λ5-phosphane)
CID 87069687
2-phenylethyl(phenylmethoxy)phosphinic acid
CID 54325821
(4-methylphenyl) N-benzylcarbamate
CID 14292552
hydroxy-imino-bis(phenylmethoxy)-λ5-phosphane
CID 57159517
zinc bis(bis(4-methylphenoxy)-sulfanylidene-sulfido-λ5-phosphane)
CID 18762380
(4-methylphenyl)-[4-(4-phenylmethoxyphenoxy)phenyl]methanone
CID 58133171

Frequently Asked Questions

What is the IUPAC name of hydroxy-(4-methylphenoxy)-phenylmethoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of hydroxy-(4-methylphenoxy)-phenylmethoxy-sulfanylidene-λ5-phosphane (CID 174823623) is hydroxy-(4-methylphenoxy)-phenylmethoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for hydroxy-(4-methylphenoxy)-phenylmethoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for hydroxy-(4-methylphenoxy)-phenylmethoxy-sulfanylidene-λ5-phosphane is Cc1ccc(OP(O)(=S)OCc2ccccc2)cc1.
What is the InChIKey of hydroxy-(4-methylphenoxy)-phenylmethoxy-sulfanylidene-λ5-phosphane?
The InChIKey is XMSJISHRYZVNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15O3PS/c1-12-7-9-14(10-8-12)17-18(15,19)16-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,15,19).
What are the key properties of hydroxy-(4-methylphenoxy)-phenylmethoxy-sulfanylidene-λ5-phosphane?
hydroxy-(4-methylphenoxy)-phenylmethoxy-sulfanylidene-λ5-phosphane has a molecular weight of 294.31 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(4-methylphenoxy)-phenylmethoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 174823623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).