9-[2-(4-methoxyphenyl)ethyl]bicyclo[6.1.0]nonan-1-ol

C18H26O2 — CID 78144176

IUPAC9-[2-(4-methoxyphenyl)ethyl]bicyclo[6.1.0]nonan-1-ol
SMILESCOc1ccc(CCC2C3CCCCCCC32O)cc1
InChIInChI=1S/C18H26O2/c1-20-15-10-7-14(8-11-15)9-12-17-16-6-4-2-3-5-13-18(16,17)19/h7-8,10-11,16-17,19H,2-6,9,12-13H2,1H3
InChIKeySGOFQKKURGSQRM-UHFFFAOYSA-N
MW274.40 g/mol
LogP3.96
Rot. Bonds4

About 9-[2-(4-methoxyphenyl)ethyl]bicyclo[6.1.0]nonan-1-ol

9-[2-(4-methoxyphenyl)ethyl]bicyclo[6.1.0]nonan-1-ol (PubChem CID 78144176) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 9-[2-(4-methoxyphenyl)ethyl]bicyclo[6.1.0]nonan-1-ol.

Molecular Properties

Compound Name9-[2-(4-methoxyphenyl)ethyl]bicyclo[6.1.0]nonan-1-ol
PubChem CID78144176
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name9-[2-(4-methoxyphenyl)ethyl]bicyclo[6.1.0]nonan-1-ol
SMILESCOc1ccc(CCC2C3CCCCCCC32O)cc1
InChIInChI=1S/C18H26O2/c1-20-15-10-7-14(8-11-15)9-12-17-16-6-4-2-3-5-13-18(16,17)19/h7-8,10-11,16-17,19H,2-6,9,12-13H2,1H3
InChIKeySGOFQKKURGSQRM-UHFFFAOYSA-N
XLogP3.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[2-(4-methoxyphenyl)ethyl]cycloheptyl]methanamine
CID 81010620
6-[(4-methoxyphenyl)methyl]bicyclo[3.1.0]hexan-6-ol
CID 79331242
1-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 60897688
cyclohexanol;ethane;2-(4-methoxyphenyl)-N,N-dimethylethanamine
CID 143482708
cycloheptane;(4-methoxyphenyl)methanol
CID 142801335
7-(4-methoxyphenyl)bicyclo[4.1.0]heptan-7-ol
CID 79331888
3-[2-(4-methoxyphenyl)ethyl]cycloheptan-1-amine
CID 65443041
1-cyclooctyl-3-(4-methoxyphenyl)propan-1-ol
CID 80603730
1-[2-(2-cyclopropyl-2-methylcyclopentyl)ethyl]-4-methoxybenzene
CID 172994437
N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclohexane-1-carboxamide
CID 171793117
1-[2-(4-methoxyphenyl)ethyl]-2-methylcyclohexan-1-amine
CID 65444722
N-[2-(4-methoxyphenyl)ethyl]-N-methylcyclohexanecarboxamide
CID 110287930

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4-methoxyphenyl)ethyl]bicyclo[6.1.0]nonan-1-ol?
The IUPAC name of 9-[2-(4-methoxyphenyl)ethyl]bicyclo[6.1.0]nonan-1-ol (CID 78144176) is 9-[2-(4-methoxyphenyl)ethyl]bicyclo[6.1.0]nonan-1-ol.
What is the SMILES notation for 9-[2-(4-methoxyphenyl)ethyl]bicyclo[6.1.0]nonan-1-ol?
The canonical SMILES for 9-[2-(4-methoxyphenyl)ethyl]bicyclo[6.1.0]nonan-1-ol is COc1ccc(CCC2C3CCCCCCC32O)cc1.
What is the InChIKey of 9-[2-(4-methoxyphenyl)ethyl]bicyclo[6.1.0]nonan-1-ol?
The InChIKey is SGOFQKKURGSQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-20-15-10-7-14(8-11-15)9-12-17-16-6-4-2-3-5-13-18(16,17)19/h7-8,10-11,16-17,19H,2-6,9,12-13H2,1H3.
What are the key properties of 9-[2-(4-methoxyphenyl)ethyl]bicyclo[6.1.0]nonan-1-ol?
9-[2-(4-methoxyphenyl)ethyl]bicyclo[6.1.0]nonan-1-ol has a molecular weight of 274.40 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4-methoxyphenyl)ethyl]bicyclo[6.1.0]nonan-1-ol is sourced from PubChem (CID 78144176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).