1-[2-(2-methoxyethoxy)phenyl]-3-methylcyclohexan-1-ol

C16H24O3 — CID 104658449

IUPAC1-[2-(2-methoxyethoxy)phenyl]-3-methylcyclohexan-1-ol
SMILESCOCCOc1ccccc1C1(O)CCCC(C)C1
InChIInChI=1S/C16H24O3/c1-13-6-5-9-16(17,12-13)14-7-3-4-8-15(14)19-11-10-18-2/h3-4,7-8,13,17H,5-6,9-12H2,1-2H3
InChIKeyZXDOVRNIUGRVIR-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.11
Rot. Bonds5

About 1-[2-(2-methoxyethoxy)phenyl]-3-methylcyclohexan-1-ol

1-[2-(2-methoxyethoxy)phenyl]-3-methylcyclohexan-1-ol (PubChem CID 104658449) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)phenyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)phenyl]-3-methylcyclohexan-1-ol
PubChem CID104658449
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name1-[2-(2-methoxyethoxy)phenyl]-3-methylcyclohexan-1-ol
SMILESCOCCOc1ccccc1C1(O)CCCC(C)C1
InChIInChI=1S/C16H24O3/c1-13-6-5-9-16(17,12-13)14-7-3-4-8-15(14)19-11-10-18-2/h3-4,7-8,13,17H,5-6,9-12H2,1-2H3
InChIKeyZXDOVRNIUGRVIR-UHFFFAOYSA-N
XLogP3.11
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-1-[2-(2-methoxyethoxy)phenyl]cycloheptan-1-ol
CID 104658769
3-[2-(2-methoxyethoxy)phenyl]-5-methylthiolan-3-ol
CID 113438152
3-[2-(2-methoxyethoxy)phenyl]-2-methylthiolan-3-ol
CID 114080240
3-propan-2-yl-1-(2-propoxyphenyl)cyclohexan-1-ol
CID 107449859
3-[2-(2-methoxyethoxy)phenyl]pyrrolidin-3-ol
CID 113438129
cis-(1S,3S)-1-(2-bromophenyl)-3-methylcyclohexan-1-ol
CID 125425810
2-methoxy-1-[2-(2-methoxyethoxy)phenyl]cyclohexan-1-ol
CID 106873761
1-(2-propoxyphenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 104658752
3-[2-(2-methoxyethoxy)phenyl]-1,1-dioxothiolan-3-ol
CID 104658539
1-[2-(2-methoxyethoxy)phenyl]-2,4-dimethylcyclohexan-1-amine
CID 104659074
2-methyl-1-(2-propoxyphenyl)cyclopentan-1-ol
CID 104658757
1-(2,5-dimethoxyphenyl)-3-methylcyclohexan-1-ol
CID 62802493

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)phenyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[2-(2-methoxyethoxy)phenyl]-3-methylcyclohexan-1-ol (CID 104658449) is 1-[2-(2-methoxyethoxy)phenyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)phenyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[2-(2-methoxyethoxy)phenyl]-3-methylcyclohexan-1-ol is COCCOc1ccccc1C1(O)CCCC(C)C1.
What is the InChIKey of 1-[2-(2-methoxyethoxy)phenyl]-3-methylcyclohexan-1-ol?
The InChIKey is ZXDOVRNIUGRVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-13-6-5-9-16(17,12-13)14-7-3-4-8-15(14)19-11-10-18-2/h3-4,7-8,13,17H,5-6,9-12H2,1-2H3.
What are the key properties of 1-[2-(2-methoxyethoxy)phenyl]-3-methylcyclohexan-1-ol?
1-[2-(2-methoxyethoxy)phenyl]-3-methylcyclohexan-1-ol has a molecular weight of 264.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)phenyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 104658449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).