1-(3-methoxyphenyl)adamantane

C17H22O — CID 54036220

IUPAC1-(3-methoxyphenyl)adamantane
SMILESCOc1cccc(C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C17H22O/c1-18-16-4-2-3-15(8-16)17-9-12-5-13(10-17)7-14(6-12)11-17/h2-4,8,12-14H,5-7,9-11H2,1H3
InChIKeyWIFNNOHNIGGIRK-UHFFFAOYSA-N
MW242.36 g/mol
LogP4.16
Rot. Bonds2

About 1-(3-methoxyphenyl)adamantane

1-(3-methoxyphenyl)adamantane (PubChem CID 54036220) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)adamantane.

Molecular Properties

Compound Name1-(3-methoxyphenyl)adamantane
PubChem CID54036220
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name1-(3-methoxyphenyl)adamantane
SMILESCOc1cccc(C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C17H22O/c1-18-16-4-2-3-15(8-16)17-9-12-5-13(10-17)7-14(6-12)11-17/h2-4,8,12-14H,5-7,9-11H2,1H3
InChIKeyWIFNNOHNIGGIRK-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-methoxyphenyl)-2-methylcyclopropan-1-amine
CID 62389909
1-(7-methoxynaphthalen-1-yl)adamantane
CID 173329758
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
3-ethyl-1-(3-methoxyphenyl)cyclobutan-1-amine
CID 64997497
3'-methoxy-3'-(3-methoxyphenyl)spiro[adamantane-2,4'-dioxetane]
CID 11493411
1-(3-methoxyphenyl)-3-methylcyclobutan-1-amine;hydrochloride
CID 127264178
(1S,5S)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonane
CID 125485645
1-[[4-(1-adamantyl)phenyl]methylideneamino]-3-(3-methoxyphenyl)thiourea
CID 155923399
5-[2-(3-methoxyphenyl)-2-adamantyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 22609689
3-(1-bicyclo[1.1.1]pentanyl)phenol
CID 122235352
2-(1-adamantyl)-1-(3-methoxyphenyl)ethanamine
CID 115785843
3-(3-methoxyphenyl)-3-methyldiaziridine
CID 167685636

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)adamantane?
The IUPAC name of 1-(3-methoxyphenyl)adamantane (CID 54036220) is 1-(3-methoxyphenyl)adamantane.
What is the SMILES notation for 1-(3-methoxyphenyl)adamantane?
The canonical SMILES for 1-(3-methoxyphenyl)adamantane is COc1cccc(C23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of 1-(3-methoxyphenyl)adamantane?
The InChIKey is WIFNNOHNIGGIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O/c1-18-16-4-2-3-15(8-16)17-9-12-5-13(10-17)7-14(6-12)11-17/h2-4,8,12-14H,5-7,9-11H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)adamantane?
1-(3-methoxyphenyl)adamantane has a molecular weight of 242.36 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)adamantane is sourced from PubChem (CID 54036220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).