[6-(1-adamantyl)-2,3-dimethylphenyl]phosphane

C18H25P — CID 175207614

IUPAC[6-(1-adamantyl)-2,3-dimethylphenyl]phosphane
SMILESCc1ccc(C23CC4CC(CC(C4)C2)C3)c(P)c1C
InChIInChI=1S/C18H25P/c1-11-3-4-16(17(19)12(11)2)18-8-13-5-14(9-18)7-15(6-13)10-18/h3-4,13-15H,5-10,19H2,1-2H3
InChIKeyYRWUSIOFQNEJLI-UHFFFAOYSA-N
MW272.37 g/mol
LogP4.27
Rot. Bonds1

About [6-(1-adamantyl)-2,3-dimethylphenyl]phosphane

[6-(1-adamantyl)-2,3-dimethylphenyl]phosphane (PubChem CID 175207614) has the molecular formula C18H25P and a molecular weight of 272.37 g/mol. Its IUPAC name is [6-(1-adamantyl)-2,3-dimethylphenyl]phosphane.

Molecular Properties

Compound Name[6-(1-adamantyl)-2,3-dimethylphenyl]phosphane
PubChem CID175207614
Molecular FormulaC18H25P
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name[6-(1-adamantyl)-2,3-dimethylphenyl]phosphane
SMILESCc1ccc(C23CC4CC(CC(C4)C2)C3)c(P)c1C
InChIInChI=1S/C18H25P/c1-11-3-4-16(17(19)12(11)2)18-8-13-5-14(9-18)7-15(6-13)10-18/h3-4,13-15H,5-10,19H2,1-2H3
InChIKeyYRWUSIOFQNEJLI-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-2-methylphenyl)adamantane
CID 169055099
S-methyl 3-(1-adamantyl)-4-methylbenzenecarbothioate
CID 19372189
4-(1-adamantyl)benzene-1,2,3-triol
CID 59591581
2,4,5-tris(1-adamantyl)-3,6-dimethylphenol
CID 87124806
2,6-bis(1-adamantyl)-4-methylphenol
CID 4686402
2,3,4,6-tetrakis(1-adamantyl)-5-methylphenol
CID 87124844
3,5-bis(1-adamantyl)-2-methylphenol
CID 66722141
2,3,6-tris(1-adamantyl)-4-methylphenol
CID 87124838
2,6-bis(1-adamantyl)phenol
CID 14169592
5-(1-adamantyl)-2-methylaniline;hydrochloride
CID 75485274
2,7-bis(1-adamantyl)-9,9-bis(3,4-dimethylphenyl)fluorene
CID 90865603
2-(1-adamantyl)-N-methylaniline
CID 3963128

Frequently Asked Questions

What is the IUPAC name of [6-(1-adamantyl)-2,3-dimethylphenyl]phosphane?
The IUPAC name of [6-(1-adamantyl)-2,3-dimethylphenyl]phosphane (CID 175207614) is [6-(1-adamantyl)-2,3-dimethylphenyl]phosphane.
What is the SMILES notation for [6-(1-adamantyl)-2,3-dimethylphenyl]phosphane?
The canonical SMILES for [6-(1-adamantyl)-2,3-dimethylphenyl]phosphane is Cc1ccc(C23CC4CC(CC(C4)C2)C3)c(P)c1C.
What is the InChIKey of [6-(1-adamantyl)-2,3-dimethylphenyl]phosphane?
The InChIKey is YRWUSIOFQNEJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25P/c1-11-3-4-16(17(19)12(11)2)18-8-13-5-14(9-18)7-15(6-13)10-18/h3-4,13-15H,5-10,19H2,1-2H3.
What are the key properties of [6-(1-adamantyl)-2,3-dimethylphenyl]phosphane?
[6-(1-adamantyl)-2,3-dimethylphenyl]phosphane has a molecular weight of 272.37 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-adamantyl)-2,3-dimethylphenyl]phosphane is sourced from PubChem (CID 175207614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).