2-methoxy-1-[2-(2-methoxyethoxy)phenyl]cyclohexan-1-ol

C16H24O4 — CID 106873761

IUPAC2-methoxy-1-[2-(2-methoxyethoxy)phenyl]cyclohexan-1-ol
SMILESCOCCOc1ccccc1C1(O)CCCCC1OC
InChIInChI=1S/C16H24O4/c1-18-11-12-20-14-8-4-3-7-13(14)16(17)10-6-5-9-15(16)19-2/h3-4,7-8,15,17H,5-6,9-12H2,1-2H3
InChIKeyRNUHERJSQOEYCC-UHFFFAOYSA-N
MW280.36 g/mol
LogP2.49
Rot. Bonds6

About 2-methoxy-1-[2-(2-methoxyethoxy)phenyl]cyclohexan-1-ol

2-methoxy-1-[2-(2-methoxyethoxy)phenyl]cyclohexan-1-ol (PubChem CID 106873761) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is 2-methoxy-1-[2-(2-methoxyethoxy)phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-methoxy-1-[2-(2-methoxyethoxy)phenyl]cyclohexan-1-ol
PubChem CID106873761
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name2-methoxy-1-[2-(2-methoxyethoxy)phenyl]cyclohexan-1-ol
SMILESCOCCOc1ccccc1C1(O)CCCCC1OC
InChIInChI=1S/C16H24O4/c1-18-11-12-20-14-8-4-3-7-13(14)16(17)10-6-5-9-15(16)19-2/h3-4,7-8,15,17H,5-6,9-12H2,1-2H3
InChIKeyRNUHERJSQOEYCC-UHFFFAOYSA-N
XLogP2.49
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-1-(2-methoxyphenyl)cyclohexan-1-ol
CID 106873696
2-ethyl-1-(2-propoxyphenyl)cyclohexan-1-ol
CID 104658729
3-[2-(2-methoxyethoxy)phenyl]-2-methylthiolan-3-ol
CID 114080240
2-methoxy-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 106873665
1-[2-(2-methoxyethoxy)phenyl]-3-methylcyclohexan-1-ol
CID 104658449
4-ethyl-1-[2-(2-methoxyethoxy)phenyl]cycloheptan-1-ol
CID 104658769
3-[2-(2-methoxyethoxy)phenyl]pyrrolidin-3-ol
CID 113438129
2-methyl-1-(2-propoxyphenyl)cyclopentan-1-ol
CID 104658757
2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)cyclohexan-1-ol
CID 18974540
3-[2-(2-methoxyethoxy)phenyl]-1,1-dioxothiolan-3-ol
CID 104658539
2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)cyclohexan-1-ol;hydrochloride
CID 18974539
1-isoquinolin-4-yl-2-methoxycyclohexan-1-ol
CID 106873556

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[2-(2-methoxyethoxy)phenyl]cyclohexan-1-ol?
The IUPAC name of 2-methoxy-1-[2-(2-methoxyethoxy)phenyl]cyclohexan-1-ol (CID 106873761) is 2-methoxy-1-[2-(2-methoxyethoxy)phenyl]cyclohexan-1-ol.
What is the SMILES notation for 2-methoxy-1-[2-(2-methoxyethoxy)phenyl]cyclohexan-1-ol?
The canonical SMILES for 2-methoxy-1-[2-(2-methoxyethoxy)phenyl]cyclohexan-1-ol is COCCOc1ccccc1C1(O)CCCCC1OC.
What is the InChIKey of 2-methoxy-1-[2-(2-methoxyethoxy)phenyl]cyclohexan-1-ol?
The InChIKey is RNUHERJSQOEYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-18-11-12-20-14-8-4-3-7-13(14)16(17)10-6-5-9-15(16)19-2/h3-4,7-8,15,17H,5-6,9-12H2,1-2H3.
What are the key properties of 2-methoxy-1-[2-(2-methoxyethoxy)phenyl]cyclohexan-1-ol?
2-methoxy-1-[2-(2-methoxyethoxy)phenyl]cyclohexan-1-ol has a molecular weight of 280.36 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[2-(2-methoxyethoxy)phenyl]cyclohexan-1-ol is sourced from PubChem (CID 106873761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).