1-(3-bicyclo[3.1.0]hexanyl)-2-(2-methoxy-5-methylphenyl)ethanol

C16H22O2 — CID 115781398

IUPAC1-(3-bicyclo[3.1.0]hexanyl)-2-(2-methoxy-5-methylphenyl)ethanol
SMILESCOc1ccc(C)cc1CC(O)C1CC2CC2C1
InChIInChI=1S/C16H22O2/c1-10-3-4-16(18-2)14(5-10)9-15(17)13-7-11-6-12(11)8-13/h3-5,11-13,15,17H,6-9H2,1-2H3
InChIKeyWBNIXZNHRGOMLV-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.95
Rot. Bonds4

About 1-(3-bicyclo[3.1.0]hexanyl)-2-(2-methoxy-5-methylphenyl)ethanol

1-(3-bicyclo[3.1.0]hexanyl)-2-(2-methoxy-5-methylphenyl)ethanol (PubChem CID 115781398) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(3-bicyclo[3.1.0]hexanyl)-2-(2-methoxy-5-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-bicyclo[3.1.0]hexanyl)-2-(2-methoxy-5-methylphenyl)ethanol
PubChem CID115781398
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name1-(3-bicyclo[3.1.0]hexanyl)-2-(2-methoxy-5-methylphenyl)ethanol
SMILESCOc1ccc(C)cc1CC(O)C1CC2CC2C1
InChIInChI=1S/C16H22O2/c1-10-3-4-16(18-2)14(5-10)9-15(17)13-7-11-6-12(11)8-13/h3-5,11-13,15,17H,6-9H2,1-2H3
InChIKeyWBNIXZNHRGOMLV-UHFFFAOYSA-N
XLogP2.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bicyclo[3.1.0]hexanyl)-2-(2-methoxy-5-methylphenyl)ethanol with MolForge

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Related Compounds

1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethanol
CID 64987117
2-(2-methoxy-5-methylphenyl)-1-(4-methylcyclohexyl)ethanol
CID 62159658
1-(4,4-difluorocyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 105083584
1-(3-ethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 65401725
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 64986723
1,2-bis(2-methoxy-5-methylphenyl)ethanol
CID 115781516
1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-ol
CID 62161527
3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-ol
CID 63895461
1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 105083639
2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanamine
CID 65413547
1-(2-methoxy-5-methylphenyl)hexane-2,3-diol
CID 103454840
4-methoxy-1-(2-methoxy-5-methylphenyl)butan-2-ol
CID 62161184

Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-2-(2-methoxy-5-methylphenyl)ethanol?
The IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-2-(2-methoxy-5-methylphenyl)ethanol (CID 115781398) is 1-(3-bicyclo[3.1.0]hexanyl)-2-(2-methoxy-5-methylphenyl)ethanol.
What is the SMILES notation for 1-(3-bicyclo[3.1.0]hexanyl)-2-(2-methoxy-5-methylphenyl)ethanol?
The canonical SMILES for 1-(3-bicyclo[3.1.0]hexanyl)-2-(2-methoxy-5-methylphenyl)ethanol is COc1ccc(C)cc1CC(O)C1CC2CC2C1.
What is the InChIKey of 1-(3-bicyclo[3.1.0]hexanyl)-2-(2-methoxy-5-methylphenyl)ethanol?
The InChIKey is WBNIXZNHRGOMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-10-3-4-16(18-2)14(5-10)9-15(17)13-7-11-6-12(11)8-13/h3-5,11-13,15,17H,6-9H2,1-2H3.
What are the key properties of 1-(3-bicyclo[3.1.0]hexanyl)-2-(2-methoxy-5-methylphenyl)ethanol?
1-(3-bicyclo[3.1.0]hexanyl)-2-(2-methoxy-5-methylphenyl)ethanol has a molecular weight of 246.35 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.1.0]hexanyl)-2-(2-methoxy-5-methylphenyl)ethanol is sourced from PubChem (CID 115781398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).