2-(4-ethenyl-2-methoxyphenoxy)-2-methyladamantane

C20H26O2 — CID 169322067

IUPAC2-(4-ethenyl-2-methoxyphenoxy)-2-methyladamantane
SMILESC=Cc1ccc(OC2(C)C3CC4CC(C3)CC2C4)c(OC)c1
InChIInChI=1S/C20H26O2/c1-4-13-5-6-18(19(12-13)21-3)22-20(2)16-8-14-7-15(10-16)11-17(20)9-14/h4-6,12,14-17H,1,7-11H2,2-3H3
InChIKeyYQCMANCJDZPSFH-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.93
Rot. Bonds4

About 2-(4-ethenyl-2-methoxyphenoxy)-2-methyladamantane

2-(4-ethenyl-2-methoxyphenoxy)-2-methyladamantane (PubChem CID 169322067) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-(4-ethenyl-2-methoxyphenoxy)-2-methyladamantane.

Molecular Properties

Compound Name2-(4-ethenyl-2-methoxyphenoxy)-2-methyladamantane
PubChem CID169322067
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name2-(4-ethenyl-2-methoxyphenoxy)-2-methyladamantane
SMILESC=Cc1ccc(OC2(C)C3CC4CC(C3)CC2C4)c(OC)c1
InChIInChI=1S/C20H26O2/c1-4-13-5-6-18(19(12-13)21-3)22-20(2)16-8-14-7-15(10-16)11-17(20)9-14/h4-6,12,14-17H,1,7-11H2,2-3H3
InChIKeyYQCMANCJDZPSFH-UHFFFAOYSA-N
XLogP4.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethenyl-1,2-dimethoxybenzene
CID 159733418
2-chloro-4-ethenyl-1-methoxybenzene
CID 11147958
4-ethenyl-2-methoxy-1-(methoxymethoxy)benzene
CID 59623316
4-ethenyl-2-ethoxy-1-methoxybenzene
CID 11665489
methyl 2-(4-ethenyl-2-methoxyphenoxy)acetate
CID 167145651
N-(1-adamantyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 3608484
(1R,5S)-2-[2-(3,4-dimethoxyphenyl)ethenyl]-6,6-dimethylbicyclo[3.1.1]hept-2-ene
CID 141401004
4-ethenyl-2-methoxy-1-(4-prop-1-en-2-ylphenoxy)benzene
CID 134533362
lithium;magnesium;2-(2-methoxybenzene-5-id-1-yl)-2-methyladamantane;bromide;chloride
CID 162120486
4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene
CID 71406141
4-ethenyl-1-methoxy-2-(4-methylphenyl)benzene
CID 172879757
(1-methylcyclopentyl) 4-ethenyl-2-methoxybenzoate
CID 170048804

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenyl-2-methoxyphenoxy)-2-methyladamantane?
The IUPAC name of 2-(4-ethenyl-2-methoxyphenoxy)-2-methyladamantane (CID 169322067) is 2-(4-ethenyl-2-methoxyphenoxy)-2-methyladamantane.
What is the SMILES notation for 2-(4-ethenyl-2-methoxyphenoxy)-2-methyladamantane?
The canonical SMILES for 2-(4-ethenyl-2-methoxyphenoxy)-2-methyladamantane is C=Cc1ccc(OC2(C)C3CC4CC(C3)CC2C4)c(OC)c1.
What is the InChIKey of 2-(4-ethenyl-2-methoxyphenoxy)-2-methyladamantane?
The InChIKey is YQCMANCJDZPSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-4-13-5-6-18(19(12-13)21-3)22-20(2)16-8-14-7-15(10-16)11-17(20)9-14/h4-6,12,14-17H,1,7-11H2,2-3H3.
What are the key properties of 2-(4-ethenyl-2-methoxyphenoxy)-2-methyladamantane?
2-(4-ethenyl-2-methoxyphenoxy)-2-methyladamantane has a molecular weight of 298.43 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenyl-2-methoxyphenoxy)-2-methyladamantane is sourced from PubChem (CID 169322067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).