1-[2-(4-methylphenoxy)ethyl]adamantane

C19H26O — CID 123385316

IUPAC1-[2-(4-methylphenoxy)ethyl]adamantane
SMILESCc1ccc(OCCC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C19H26O/c1-14-2-4-18(5-3-14)20-7-6-19-11-15-8-16(12-19)10-17(9-15)13-19/h2-5,15-17H,6-13H2,1H3
InChIKeyPAPRGANOLPSDCB-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.98
Rot. Bonds4

About 1-[2-(4-methylphenoxy)ethyl]adamantane

1-[2-(4-methylphenoxy)ethyl]adamantane (PubChem CID 123385316) has the molecular formula C19H26O and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-[2-(4-methylphenoxy)ethyl]adamantane.

Molecular Properties

Compound Name1-[2-(4-methylphenoxy)ethyl]adamantane
PubChem CID123385316
Molecular FormulaC19H26O
Molecular Weight270.42 g/mol
Exact Mass270.20
IUPAC Name1-[2-(4-methylphenoxy)ethyl]adamantane
SMILESCc1ccc(OCCC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C19H26O/c1-14-2-4-18(5-3-14)20-7-6-19-11-15-8-16(12-19)10-17(9-15)13-19/h2-5,15-17H,6-13H2,1H3
InChIKeyPAPRGANOLPSDCB-UHFFFAOYSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[2-(4-methylphenoxy)ethyl]adamantane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[2-(1-adamantyl)acetyl]piperazin-1-yl]-4-(4-methylphenoxy)butan-1-one
CID 108534519
[3-[2-(1-adamantyl)ethoxy]phenyl]methanamine
CID 106485177
1-[2-(4-methoxyphenyl)sulfanylethyl]adamantane
CID 142421276
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
ethyl (3E)-5-[2-(1-adamantyl)ethoxy]-3-(1-hydroxyethylidene)-1-phenylindene-2-carboxylate
CID 143123743
1-(2-cyclopropyloxyethoxy)-4-methylbenzene
CID 153135187
4-[4-[2-(1-adamantyl)ethoxy]phenyl]-2,4,5,10-tetrahydro-1H-pyrrolo[3,4-c][1,5]benzodiazepin-3-one
CID 58765356
1-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzene
CID 2284217
methane;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene)
CID 161180549
11-(4-methylphenoxy)undecan-1-ol
CID 67541960
15-[2-(1-adamantyl)ethoxy]-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
CID 135981166
3-[3-[2-(1-adamantyl)ethoxy]phenyl]-1-methoxy-1-methylurea
CID 15583000

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenoxy)ethyl]adamantane?
The IUPAC name of 1-[2-(4-methylphenoxy)ethyl]adamantane (CID 123385316) is 1-[2-(4-methylphenoxy)ethyl]adamantane.
What is the SMILES notation for 1-[2-(4-methylphenoxy)ethyl]adamantane?
The canonical SMILES for 1-[2-(4-methylphenoxy)ethyl]adamantane is Cc1ccc(OCCC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 1-[2-(4-methylphenoxy)ethyl]adamantane?
The InChIKey is PAPRGANOLPSDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O/c1-14-2-4-18(5-3-14)20-7-6-19-11-15-8-16(12-19)10-17(9-15)13-19/h2-5,15-17H,6-13H2,1H3.
What are the key properties of 1-[2-(4-methylphenoxy)ethyl]adamantane?
1-[2-(4-methylphenoxy)ethyl]adamantane has a molecular weight of 270.42 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenoxy)ethyl]adamantane is sourced from PubChem (CID 123385316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).