ethane;4-(phosphanylmethyl)phenol

C9H15OP — CID 144577973

IUPACethane;4-(phosphanylmethyl)phenol
SMILESCC.Oc1ccc(CP)cc1
InChIInChI=1S/C7H9OP.C2H6/c8-7-3-1-6(5-9)2-4-7;1-2/h1-4,8H,5,9H2;1-2H3
InChIKeyRCQIVDBBECMDIM-UHFFFAOYSA-N
MW170.19 g/mol
LogP2.79
Rot. Bonds1

About ethane;4-(phosphanylmethyl)phenol

ethane;4-(phosphanylmethyl)phenol (PubChem CID 144577973) has the molecular formula C9H15OP and a molecular weight of 170.19 g/mol. Its IUPAC name is ethane;4-(phosphanylmethyl)phenol.

Molecular Properties

Compound Nameethane;4-(phosphanylmethyl)phenol
PubChem CID144577973
Molecular FormulaC9H15OP
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Nameethane;4-(phosphanylmethyl)phenol
SMILESCC.Oc1ccc(CP)cc1
InChIInChI=1S/C7H9OP.C2H6/c8-7-3-1-6(5-9)2-4-7;1-2/h1-4,8H,5,9H2;1-2H3
InChIKeyRCQIVDBBECMDIM-UHFFFAOYSA-N
XLogP2.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(phosphanylmethyl)phenol
CID 58879736
4-[(4-hydroxyphenyl)methyl]phenol
CID 12111
4-(aminomethyl)phenol;ethane;tungsten;hydrate
CID 169128634
ethane;4-ethylphenol;formaldehyde
CID 131698499
ethane;4-[3-[4-[4-[3-(4-hydroxyphenyl)propyl]phenyl]phenyl]propyl]phenol
CID 91387150
sodium;4-ethylphenol;hydroxide
CID 160913882
magnesium;4-ethylphenol;hydride
CID 174425334
ethane;4-(2-methylsulfanylethyl)phenol
CID 154657371
4-(iodomethyl)phenol
CID 11241787
(4-chlorophenyl)methylphosphane
CID 21076076
4-(hydroxymethyl)phenol;hydrate
CID 141133894
4-[(2R)-2-amino-3-hydroxypropyl]phenol;ethane
CID 143560226

Frequently Asked Questions

What is the IUPAC name of ethane;4-(phosphanylmethyl)phenol?
The IUPAC name of ethane;4-(phosphanylmethyl)phenol (CID 144577973) is ethane;4-(phosphanylmethyl)phenol.
What is the SMILES notation for ethane;4-(phosphanylmethyl)phenol?
The canonical SMILES for ethane;4-(phosphanylmethyl)phenol is CC.Oc1ccc(CP)cc1.
What is the InChIKey of ethane;4-(phosphanylmethyl)phenol?
The InChIKey is RCQIVDBBECMDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9OP.C2H6/c8-7-3-1-6(5-9)2-4-7;1-2/h1-4,8H,5,9H2;1-2H3.
What are the key properties of ethane;4-(phosphanylmethyl)phenol?
ethane;4-(phosphanylmethyl)phenol has a molecular weight of 170.19 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(phosphanylmethyl)phenol is sourced from PubChem (CID 144577973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).