7-(2,4-dimethoxyphenyl)bicyclo[4.1.0]heptan-7-ol

C15H20O3 — CID 79331273

IUPAC7-(2,4-dimethoxyphenyl)bicyclo[4.1.0]heptan-7-ol
SMILESCOc1ccc(C2(O)C3CCCCC32)c(OC)c1
InChIInChI=1S/C15H20O3/c1-17-10-7-8-13(14(9-10)18-2)15(16)11-5-3-4-6-12(11)15/h7-9,11-12,16H,3-6H2,1-2H3
InChIKeySHUYGDKSWWFOCV-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.71
Rot. Bonds3

About 7-(2,4-dimethoxyphenyl)bicyclo[4.1.0]heptan-7-ol

7-(2,4-dimethoxyphenyl)bicyclo[4.1.0]heptan-7-ol (PubChem CID 79331273) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 7-(2,4-dimethoxyphenyl)bicyclo[4.1.0]heptan-7-ol.

Molecular Properties

Compound Name7-(2,4-dimethoxyphenyl)bicyclo[4.1.0]heptan-7-ol
PubChem CID79331273
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name7-(2,4-dimethoxyphenyl)bicyclo[4.1.0]heptan-7-ol
SMILESCOc1ccc(C2(O)C3CCCCC32)c(OC)c1
InChIInChI=1S/C15H20O3/c1-17-10-7-8-13(14(9-10)18-2)15(16)11-5-3-4-6-12(11)15/h7-9,11-12,16H,3-6H2,1-2H3
InChIKeySHUYGDKSWWFOCV-UHFFFAOYSA-N
XLogP2.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(4-methoxyphenyl)bicyclo[4.1.0]heptan-7-ol
CID 79331888
7-(2,3-dimethoxyphenyl)bicyclo[4.1.0]heptan-7-ol
CID 79331887
6-(2-methoxy-5-methylphenyl)bicyclo[3.1.0]hexan-6-ol
CID 79332087
3-amino-1-(2,4-dimethoxyphenyl)cyclohexan-1-ol
CID 80562191
2-(2,4-dimethoxyphenyl)cycloheptan-1-ol
CID 62800812
2-[(2,4-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 62365081
4-(2,4-dimethoxy-N-methylanilino)cyclohexan-1-ol
CID 115149418
3-(2,4-dimethoxyphenyl)oxolan-3-ol
CID 63331455
trans-(1R,2S)-2-(2,5-dimethoxyphenyl)cyclohexan-1-ol
CID 6994758
1-(2,5-dimethoxyphenyl)-2-methylcyclopentan-1-ol
CID 65049668
1-cyclopentyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79374780
3-(2,4-dimethoxyphenyl)bicyclo[3.1.0]hexan-3-amine
CID 82389982

Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dimethoxyphenyl)bicyclo[4.1.0]heptan-7-ol?
The IUPAC name of 7-(2,4-dimethoxyphenyl)bicyclo[4.1.0]heptan-7-ol (CID 79331273) is 7-(2,4-dimethoxyphenyl)bicyclo[4.1.0]heptan-7-ol.
What is the SMILES notation for 7-(2,4-dimethoxyphenyl)bicyclo[4.1.0]heptan-7-ol?
The canonical SMILES for 7-(2,4-dimethoxyphenyl)bicyclo[4.1.0]heptan-7-ol is COc1ccc(C2(O)C3CCCCC32)c(OC)c1.
What is the InChIKey of 7-(2,4-dimethoxyphenyl)bicyclo[4.1.0]heptan-7-ol?
The InChIKey is SHUYGDKSWWFOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-17-10-7-8-13(14(9-10)18-2)15(16)11-5-3-4-6-12(11)15/h7-9,11-12,16H,3-6H2,1-2H3.
What are the key properties of 7-(2,4-dimethoxyphenyl)bicyclo[4.1.0]heptan-7-ol?
7-(2,4-dimethoxyphenyl)bicyclo[4.1.0]heptan-7-ol has a molecular weight of 248.32 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dimethoxyphenyl)bicyclo[4.1.0]heptan-7-ol is sourced from PubChem (CID 79331273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).