4-(1-methylphosphanylethyl)phenol

C9H13OP — CID 135192589

IUPAC4-(1-methylphosphanylethyl)phenol
SMILESCPC(C)c1ccc(O)cc1
InChIInChI=1S/C9H13OP/c1-7(11-2)8-3-5-9(10)6-4-8/h3-7,10-11H,1-2H3
InChIKeyOBNCMIZWUVFCMS-UHFFFAOYSA-N
MW168.18 g/mol
LogP2.76
Rot. Bonds2

About 4-(1-methylphosphanylethyl)phenol

4-(1-methylphosphanylethyl)phenol (PubChem CID 135192589) has the molecular formula C9H13OP and a molecular weight of 168.18 g/mol. Its IUPAC name is 4-(1-methylphosphanylethyl)phenol.

Molecular Properties

Compound Name4-(1-methylphosphanylethyl)phenol
PubChem CID135192589
Molecular FormulaC9H13OP
Molecular Weight168.18 g/mol
Exact Mass168.07
IUPAC Name4-(1-methylphosphanylethyl)phenol
SMILESCPC(C)c1ccc(O)cc1
InChIInChI=1S/C9H13OP/c1-7(11-2)8-3-5-9(10)6-4-8/h3-7,10-11H,1-2H3
InChIKeyOBNCMIZWUVFCMS-UHFFFAOYSA-N
XLogP2.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.18
LogP ≤ 52.76
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-[1-(4-hydroxyphenyl)ethyl]phenol
CID 608116
methane;4-propan-2-ylphenol
CID 159328733
4-[(1R)-1-fluoroethyl]phenol
CID 124547590
CID 174824648
CID 174824648
4-[(4-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]phenol
CID 22648594
4-[(1R)-1-aminoethyl]phenol;hydrochloride
CID 127264624
bis(4-[3-(4-hydroxyphenyl)butan-2-yl]phenol);phenol
CID 161418686
4-[1-(4-methylphenyl)ethyl]phenol
CID 23036862
4-(1-isocyanoethyl)phenol
CID 84763006
4-[(1S)-1-amino-2-methylpropyl]phenol
CID 55278792
4-[1-(dimethylamino)ethyl]phenol
CID 3029886
4-(1,2-diaminopropyl)phenol
CID 24841393

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylphosphanylethyl)phenol?
The IUPAC name of 4-(1-methylphosphanylethyl)phenol (CID 135192589) is 4-(1-methylphosphanylethyl)phenol.
What is the SMILES notation for 4-(1-methylphosphanylethyl)phenol?
The canonical SMILES for 4-(1-methylphosphanylethyl)phenol is CPC(C)c1ccc(O)cc1.
What is the InChIKey of 4-(1-methylphosphanylethyl)phenol?
The InChIKey is OBNCMIZWUVFCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13OP/c1-7(11-2)8-3-5-9(10)6-4-8/h3-7,10-11H,1-2H3.
What are the key properties of 4-(1-methylphosphanylethyl)phenol?
4-(1-methylphosphanylethyl)phenol has a molecular weight of 168.18 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylphosphanylethyl)phenol is sourced from PubChem (CID 135192589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).