2-methyl-4-[5-(oxiran-2-ylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]phenol

C18H24O3 — CID 87173787

IUPAC2-methyl-4-[5-(oxiran-2-ylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]phenol
SMILESCc1cc(C2CC3CC2CC3COCC2CO2)ccc1O
InChIInChI=1S/C18H24O3/c1-11-4-12(2-3-18(11)19)17-7-13-5-14(17)6-15(13)8-20-9-16-10-21-16/h2-4,13-17,19H,5-10H2,1H3
InChIKeyYXQOVXBNIIVCFW-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.25
Rot. Bonds5

About 2-methyl-4-[5-(oxiran-2-ylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]phenol

2-methyl-4-[5-(oxiran-2-ylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]phenol (PubChem CID 87173787) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-methyl-4-[5-(oxiran-2-ylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]phenol.

Molecular Properties

Compound Name2-methyl-4-[5-(oxiran-2-ylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]phenol
PubChem CID87173787
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name2-methyl-4-[5-(oxiran-2-ylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]phenol
SMILESCc1cc(C2CC3CC2CC3COCC2CO2)ccc1O
InChIInChI=1S/C18H24O3/c1-11-4-12(2-3-18(11)19)17-7-13-5-14(17)6-15(13)8-20-9-16-10-21-16/h2-4,13-17,19H,5-10H2,1H3
InChIKeyYXQOVXBNIIVCFW-UHFFFAOYSA-N
XLogP3.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-[(1S,4S,5R)-5-(4-hydroxy-3-methylphenyl)-2-bicyclo[2.2.1]heptanyl]-2-methylphenol
CID 67890374
2-methyl-4-[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]phenol
CID 87173650
4-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-2-bicyclo[2.2.1]heptanyl]-2-propan-2-ylphenol
CID 67605830
2-[(5-methyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl]oxirane
CID 126625635
4-(4-hydroxy-2,3-dimethylphenyl)-2,3-dimethylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 146291909
2-cyclohexyl-4-[5-[4-[5-(3-cyclohexyl-4-methylphenyl)-2-bicyclo[2.2.1]heptanyl]butyl]-2-bicyclo[2.2.1]heptanyl]phenol
CID 66835718
ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;1,4-xylene
CID 126511442
bis(benzene-1,4-diol);2-(oxiran-2-ylmethoxymethyl)oxirane
CID 158653156
2-(oxiran-2-ylmethoxymethyl)oxirane;2,3,5-trimethylbenzene-1,4-diol
CID 22457219
benzene;2,3-dimethylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174448667
4-[[5-[4-[5-[bis(4-hydroxy-3-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-2-bicyclo[2.2.1]heptanyl]-(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol
CID 66837099
3-ethenyl-4-methylbenzene-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174467086

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[5-(oxiran-2-ylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]phenol?
The IUPAC name of 2-methyl-4-[5-(oxiran-2-ylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]phenol (CID 87173787) is 2-methyl-4-[5-(oxiran-2-ylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]phenol.
What is the SMILES notation for 2-methyl-4-[5-(oxiran-2-ylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]phenol?
The canonical SMILES for 2-methyl-4-[5-(oxiran-2-ylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]phenol is Cc1cc(C2CC3CC2CC3COCC2CO2)ccc1O.
What is the InChIKey of 2-methyl-4-[5-(oxiran-2-ylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]phenol?
The InChIKey is YXQOVXBNIIVCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c1-11-4-12(2-3-18(11)19)17-7-13-5-14(17)6-15(13)8-20-9-16-10-21-16/h2-4,13-17,19H,5-10H2,1H3.
What are the key properties of 2-methyl-4-[5-(oxiran-2-ylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]phenol?
2-methyl-4-[5-(oxiran-2-ylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]phenol has a molecular weight of 288.39 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[5-(oxiran-2-ylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]phenol is sourced from PubChem (CID 87173787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).