[2-cyclohexyloxy-6-(2-methoxyethoxy)phenyl] prop-2-enoate

C18H24O5 — CID 69110775

IUPAC[2-cyclohexyloxy-6-(2-methoxyethoxy)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1c(OCCOC)cccc1OC1CCCCC1
InChIInChI=1S/C18H24O5/c1-3-17(19)23-18-15(21-13-12-20-2)10-7-11-16(18)22-14-8-5-4-6-9-14/h3,7,10-11,14H,1,4-6,8-9,12-13H2,2H3
InChIKeyLECQYRSSPNEESH-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.51
Rot. Bonds8

About [2-cyclohexyloxy-6-(2-methoxyethoxy)phenyl] prop-2-enoate

[2-cyclohexyloxy-6-(2-methoxyethoxy)phenyl] prop-2-enoate (PubChem CID 69110775) has the molecular formula C18H24O5 and a molecular weight of 320.39 g/mol. Its IUPAC name is [2-cyclohexyloxy-6-(2-methoxyethoxy)phenyl] prop-2-enoate.

Molecular Properties

Compound Name[2-cyclohexyloxy-6-(2-methoxyethoxy)phenyl] prop-2-enoate
PubChem CID69110775
Molecular FormulaC18H24O5
Molecular Weight320.39 g/mol
Exact Mass320.16
IUPAC Name[2-cyclohexyloxy-6-(2-methoxyethoxy)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1c(OCCOC)cccc1OC1CCCCC1
InChIInChI=1S/C18H24O5/c1-3-17(19)23-18-15(21-13-12-20-2)10-7-11-16(18)22-14-8-5-4-6-9-14/h3,7,10-11,14H,1,4-6,8-9,12-13H2,2H3
InChIKeyLECQYRSSPNEESH-UHFFFAOYSA-N
XLogP3.51
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[2-[(5-amino-3-methyl-2-pyridinyl)oxy]-6-(2-methoxyethoxy)phenyl] prop-2-enoate
CID 69111070
[4-(2,3-diaminophenoxy)cyclohexyl] prop-2-enoate
CID 141212660
[2-methoxy-6-[(2-methylpropan-2-yl)oxy]phenyl] prop-2-enoate
CID 166044944
methyl 2-cyclohexyloxybenzoate
CID 11345342
azepan-2-yl-[2-(2-methoxyethoxy)phenyl]methanone
CID 116582652
2-(2-cycloheptyloxyethoxy)benzohydrazide
CID 63570919
1,2-dicyclohexyloxybenzene
CID 67331328
[2-hydroxy-6-(2-methoxyethoxy)phenyl] propanoate
CID 67735914
2-(2-methoxyethoxy)-3-propoxybenzaldehyde
CID 86623125
methyl 2-amino-3-cyclohexyloxybenzoate
CID 113333231
1-cyclohexyloxy-2-(3-methoxypropoxy)-4-methylbenzene
CID 59224001
naphthalen-1-yl prop-2-enoate
CID 10192638

Frequently Asked Questions

What is the IUPAC name of [2-cyclohexyloxy-6-(2-methoxyethoxy)phenyl] prop-2-enoate?
The IUPAC name of [2-cyclohexyloxy-6-(2-methoxyethoxy)phenyl] prop-2-enoate (CID 69110775) is [2-cyclohexyloxy-6-(2-methoxyethoxy)phenyl] prop-2-enoate.
What is the SMILES notation for [2-cyclohexyloxy-6-(2-methoxyethoxy)phenyl] prop-2-enoate?
The canonical SMILES for [2-cyclohexyloxy-6-(2-methoxyethoxy)phenyl] prop-2-enoate is C=CC(=O)Oc1c(OCCOC)cccc1OC1CCCCC1.
What is the InChIKey of [2-cyclohexyloxy-6-(2-methoxyethoxy)phenyl] prop-2-enoate?
The InChIKey is LECQYRSSPNEESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O5/c1-3-17(19)23-18-15(21-13-12-20-2)10-7-11-16(18)22-14-8-5-4-6-9-14/h3,7,10-11,14H,1,4-6,8-9,12-13H2,2H3.
What are the key properties of [2-cyclohexyloxy-6-(2-methoxyethoxy)phenyl] prop-2-enoate?
[2-cyclohexyloxy-6-(2-methoxyethoxy)phenyl] prop-2-enoate has a molecular weight of 320.39 g/mol, XLogP of 3.51, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclohexyloxy-6-(2-methoxyethoxy)phenyl] prop-2-enoate is sourced from PubChem (CID 69110775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).