4-ethyl-1-[2-(2-methoxyethoxy)phenyl]cycloheptan-1-ol

C18H28O3 — CID 104658769

IUPAC4-ethyl-1-[2-(2-methoxyethoxy)phenyl]cycloheptan-1-ol
SMILESCCC1CCCC(O)(c2ccccc2OCCOC)CC1
InChIInChI=1S/C18H28O3/c1-3-15-7-6-11-18(19,12-10-15)16-8-4-5-9-17(16)21-14-13-20-2/h4-5,8-9,15,19H,3,6-7,10-14H2,1-2H3
InChIKeyNDEMHNXCHQPPTL-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.89
Rot. Bonds6

About 4-ethyl-1-[2-(2-methoxyethoxy)phenyl]cycloheptan-1-ol

4-ethyl-1-[2-(2-methoxyethoxy)phenyl]cycloheptan-1-ol (PubChem CID 104658769) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is 4-ethyl-1-[2-(2-methoxyethoxy)phenyl]cycloheptan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-[2-(2-methoxyethoxy)phenyl]cycloheptan-1-ol
PubChem CID104658769
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name4-ethyl-1-[2-(2-methoxyethoxy)phenyl]cycloheptan-1-ol
SMILESCCC1CCCC(O)(c2ccccc2OCCOC)CC1
InChIInChI=1S/C18H28O3/c1-3-15-7-6-11-18(19,12-10-15)16-8-4-5-9-17(16)21-14-13-20-2/h4-5,8-9,15,19H,3,6-7,10-14H2,1-2H3
InChIKeyNDEMHNXCHQPPTL-UHFFFAOYSA-N
XLogP3.89
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.89
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

1-[2-(2-methoxyethoxy)phenyl]-3-methylcyclohexan-1-ol
CID 104658449
1-(2-ethoxyphenyl)-3-ethylcyclopentan-1-ol
CID 64514301
4-ethyl-1-phenylcycloheptan-1-ol
CID 65085687
1-(2-amino-3-pyridinyl)-4-ethylcycloheptan-1-ol
CID 65085479
3-[2-(2-methoxyethoxy)phenyl]pyrrolidin-3-ol
CID 113438129
2-methoxy-1-[2-(2-methoxyethoxy)phenyl]cyclohexan-1-ol
CID 106873761
1-(2-ethoxyphenyl)cycloheptan-1-ol
CID 55120332
3-[2-(2-methoxyethoxy)phenyl]-1,1-dioxothiolan-3-ol
CID 104658539
3-[2-(2-methoxyethoxy)phenyl]-5-methylthiolan-3-ol
CID 113438152
3-propan-2-yl-1-(2-propoxyphenyl)cyclohexan-1-ol
CID 107449859
1-(2-propoxyphenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 104658752
4-ethyl-1-(2,4,5-trimethylphenyl)cycloheptan-1-ol
CID 65086189

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[2-(2-methoxyethoxy)phenyl]cycloheptan-1-ol?
The IUPAC name of 4-ethyl-1-[2-(2-methoxyethoxy)phenyl]cycloheptan-1-ol (CID 104658769) is 4-ethyl-1-[2-(2-methoxyethoxy)phenyl]cycloheptan-1-ol.
What is the SMILES notation for 4-ethyl-1-[2-(2-methoxyethoxy)phenyl]cycloheptan-1-ol?
The canonical SMILES for 4-ethyl-1-[2-(2-methoxyethoxy)phenyl]cycloheptan-1-ol is CCC1CCCC(O)(c2ccccc2OCCOC)CC1.
What is the InChIKey of 4-ethyl-1-[2-(2-methoxyethoxy)phenyl]cycloheptan-1-ol?
The InChIKey is NDEMHNXCHQPPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3/c1-3-15-7-6-11-18(19,12-10-15)16-8-4-5-9-17(16)21-14-13-20-2/h4-5,8-9,15,19H,3,6-7,10-14H2,1-2H3.
What are the key properties of 4-ethyl-1-[2-(2-methoxyethoxy)phenyl]cycloheptan-1-ol?
4-ethyl-1-[2-(2-methoxyethoxy)phenyl]cycloheptan-1-ol has a molecular weight of 292.42 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[2-(2-methoxyethoxy)phenyl]cycloheptan-1-ol is sourced from PubChem (CID 104658769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).