3-bicyclo[3.1.0]hexanyl-(2,6-dimethoxyphenyl)methanol

C15H20O3 — CID 115838554

IUPAC3-bicyclo[3.1.0]hexanyl-(2,6-dimethoxyphenyl)methanol
SMILESCOc1cccc(OC)c1C(O)C1CC2CC2C1
InChIInChI=1S/C15H20O3/c1-17-12-4-3-5-13(18-2)14(12)15(16)11-7-9-6-10(9)8-11/h3-5,9-11,15-16H,6-8H2,1-2H3
InChIKeyADROEHRBJBBKQV-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.78
Rot. Bonds4

About 3-bicyclo[3.1.0]hexanyl-(2,6-dimethoxyphenyl)methanol

3-bicyclo[3.1.0]hexanyl-(2,6-dimethoxyphenyl)methanol (PubChem CID 115838554) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 3-bicyclo[3.1.0]hexanyl-(2,6-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name3-bicyclo[3.1.0]hexanyl-(2,6-dimethoxyphenyl)methanol
PubChem CID115838554
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name3-bicyclo[3.1.0]hexanyl-(2,6-dimethoxyphenyl)methanol
SMILESCOc1cccc(OC)c1C(O)C1CC2CC2C1
InChIInChI=1S/C15H20O3/c1-17-12-4-3-5-13(18-2)14(12)15(16)11-7-9-6-10(9)8-11/h3-5,9-11,15-16H,6-8H2,1-2H3
InChIKeyADROEHRBJBBKQV-UHFFFAOYSA-N
XLogP2.78
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bicyclo[3.1.0]hexanyl-(2,6-dimethoxyphenyl)methanol with MolForge

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Related Compounds

(2,6-dimethoxyphenyl)-(2-methylcyclopropyl)methanol
CID 116810169
(2-chloro-6-methoxyphenyl)-(3,5-dimethylcyclohexyl)methanol
CID 104817235
(4,4-difluorocyclohexyl)-(2,6-dimethoxyphenyl)methanol
CID 105131631
(R)-cyclopropyl-(2,6-dimethoxyphenyl)methanamine
CID 171201185
(1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)propan-2-ol;hydrochloride
CID 171261396
1-(3-bicyclo[3.1.0]hexanyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 115781398
(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-dimethoxyphenyl)ethanol;hydrochloride
CID 171267091
1-(2,6-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103170312
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-fluoro-3-methoxyphenyl)methanol
CID 115828514
(S)-cyclopropyl-(2,6-dimethoxyphenyl)methanamine;hydrochloride
CID 171220722
[3-bicyclo[3.1.0]hexanyl-(2-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105329307
1-(2,6-dimethoxyphenyl)prop-2-en-1-ol
CID 115814673

Frequently Asked Questions

What is the IUPAC name of 3-bicyclo[3.1.0]hexanyl-(2,6-dimethoxyphenyl)methanol?
The IUPAC name of 3-bicyclo[3.1.0]hexanyl-(2,6-dimethoxyphenyl)methanol (CID 115838554) is 3-bicyclo[3.1.0]hexanyl-(2,6-dimethoxyphenyl)methanol.
What is the SMILES notation for 3-bicyclo[3.1.0]hexanyl-(2,6-dimethoxyphenyl)methanol?
The canonical SMILES for 3-bicyclo[3.1.0]hexanyl-(2,6-dimethoxyphenyl)methanol is COc1cccc(OC)c1C(O)C1CC2CC2C1.
What is the InChIKey of 3-bicyclo[3.1.0]hexanyl-(2,6-dimethoxyphenyl)methanol?
The InChIKey is ADROEHRBJBBKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-17-12-4-3-5-13(18-2)14(12)15(16)11-7-9-6-10(9)8-11/h3-5,9-11,15-16H,6-8H2,1-2H3.
What are the key properties of 3-bicyclo[3.1.0]hexanyl-(2,6-dimethoxyphenyl)methanol?
3-bicyclo[3.1.0]hexanyl-(2,6-dimethoxyphenyl)methanol has a molecular weight of 248.32 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bicyclo[3.1.0]hexanyl-(2,6-dimethoxyphenyl)methanol is sourced from PubChem (CID 115838554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).