2-[2-(4-methoxyphenyl)ethyl]adamantane

C19H26O — CID 158701742

IUPAC2-[2-(4-methoxyphenyl)ethyl]adamantane
SMILESCOc1ccc(CCC2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C19H26O/c1-20-18-5-2-13(3-6-18)4-7-19-16-9-14-8-15(11-16)12-17(19)10-14/h2-3,5-6,14-17,19H,4,7-12H2,1H3
InChIKeyIHPXRZIENKCIKB-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.70
Rot. Bonds4

About 2-[2-(4-methoxyphenyl)ethyl]adamantane

2-[2-(4-methoxyphenyl)ethyl]adamantane (PubChem CID 158701742) has the molecular formula C19H26O and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethyl]adamantane.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)ethyl]adamantane
PubChem CID158701742
Molecular FormulaC19H26O
Molecular Weight270.42 g/mol
Exact Mass270.20
IUPAC Name2-[2-(4-methoxyphenyl)ethyl]adamantane
SMILESCOc1ccc(CCC2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C19H26O/c1-20-18-5-2-13(3-6-18)4-7-19-16-9-14-8-15(11-16)12-17(19)10-14/h2-3,5-6,14-17,19H,4,7-12H2,1H3
InChIKeyIHPXRZIENKCIKB-UHFFFAOYSA-N
XLogP4.70
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 ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]adamantan-2-amine
CID 783887
(1R,2S,4S)-N-[2-(4-methoxyphenyl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 784416
bis[2-(4-methoxyphenyl)ethyl]phosphinothious acid
CID 57380509
3-[2-(4-methoxyphenyl)ethyl]cycloheptan-1-amine
CID 65443041
1-(1-adamantyl)-3-(4-methoxyphenyl)propan-1-one
CID 135008863
cis-(1R,3R)-3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 11506917
3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 65444252
1-[2-[(2E)-2-ethylidenecyclopropyl]ethyl]-4-methoxybenzene
CID 101273970
[2-[2-(4-methoxyphenyl)ethyl]cycloheptyl]methanamine
CID 81010620
(3S)-3-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrolidine
CID 150264737
trans-(1R,3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclohexan-1-amine
CID 784361
4-ethyl-2-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 79422404

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethyl]adamantane?
The IUPAC name of 2-[2-(4-methoxyphenyl)ethyl]adamantane (CID 158701742) is 2-[2-(4-methoxyphenyl)ethyl]adamantane.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethyl]adamantane?
The canonical SMILES for 2-[2-(4-methoxyphenyl)ethyl]adamantane is COc1ccc(CCC2C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)ethyl]adamantane?
The InChIKey is IHPXRZIENKCIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O/c1-20-18-5-2-13(3-6-18)4-7-19-16-9-14-8-15(11-16)12-17(19)10-14/h2-3,5-6,14-17,19H,4,7-12H2,1H3.
What are the key properties of 2-[2-(4-methoxyphenyl)ethyl]adamantane?
2-[2-(4-methoxyphenyl)ethyl]adamantane has a molecular weight of 270.42 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)ethyl]adamantane is sourced from PubChem (CID 158701742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).