1-(4-cyclohex-2-en-1-yloxy-3-methoxyphenyl)ethanol

C15H20O3 — CID 114620138

IUPAC1-(4-cyclohex-2-en-1-yloxy-3-methoxyphenyl)ethanol
SMILESCOc1cc(C(C)O)ccc1OC1C=CCCC1
InChIInChI=1S/C15H20O3/c1-11(16)12-8-9-14(15(10-12)17-2)18-13-6-4-3-5-7-13/h4,6,8-11,13,16H,3,5,7H2,1-2H3
InChIKeyWDVJDSJZVBITFU-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.24
Rot. Bonds4

About 1-(4-cyclohex-2-en-1-yloxy-3-methoxyphenyl)ethanol

1-(4-cyclohex-2-en-1-yloxy-3-methoxyphenyl)ethanol (PubChem CID 114620138) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-(4-cyclohex-2-en-1-yloxy-3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(4-cyclohex-2-en-1-yloxy-3-methoxyphenyl)ethanol
PubChem CID114620138
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name1-(4-cyclohex-2-en-1-yloxy-3-methoxyphenyl)ethanol
SMILESCOc1cc(C(C)O)ccc1OC1C=CCCC1
InChIInChI=1S/C15H20O3/c1-11(16)12-8-9-14(15(10-12)17-2)18-13-6-4-3-5-7-13/h4,6,8-11,13,16H,3,5,7H2,1-2H3
InChIKeyWDVJDSJZVBITFU-UHFFFAOYSA-N
XLogP3.24
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-cyclopentyloxy-3-methoxyphenyl)ethanol
CID 43503851
(1R)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanol
CID 107135071
1-(3-cyclohex-2-en-1-yloxy-4-methoxyphenyl)butan-2-amine
CID 114620675
(1R)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethanamine
CID 30119294
4-cyclopent-2-en-1-yloxy-3-methoxybenzaldehyde
CID 105472168
3-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propane-1,2-diol
CID 82851067
1-[3-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol
CID 114621610
N-[1-(4-cyclohex-2-en-1-yloxy-3-fluorophenyl)ethyl]propan-1-amine
CID 114619942
1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)propan-2-amine
CID 114620682
N-[(2-cyclohex-2-en-1-yloxy-5-methylphenyl)methyl]-2-methylpropan-1-amine
CID 114619845
2-bromo-3-cyclohex-2-en-1-yloxy-1-ethenyl-4-methoxybenzene
CID 10267307
N-cyclopentyl-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]acetamide
CID 43416744

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohex-2-en-1-yloxy-3-methoxyphenyl)ethanol?
The IUPAC name of 1-(4-cyclohex-2-en-1-yloxy-3-methoxyphenyl)ethanol (CID 114620138) is 1-(4-cyclohex-2-en-1-yloxy-3-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(4-cyclohex-2-en-1-yloxy-3-methoxyphenyl)ethanol?
The canonical SMILES for 1-(4-cyclohex-2-en-1-yloxy-3-methoxyphenyl)ethanol is COc1cc(C(C)O)ccc1OC1C=CCCC1.
What is the InChIKey of 1-(4-cyclohex-2-en-1-yloxy-3-methoxyphenyl)ethanol?
The InChIKey is WDVJDSJZVBITFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-11(16)12-8-9-14(15(10-12)17-2)18-13-6-4-3-5-7-13/h4,6,8-11,13,16H,3,5,7H2,1-2H3.
What are the key properties of 1-(4-cyclohex-2-en-1-yloxy-3-methoxyphenyl)ethanol?
1-(4-cyclohex-2-en-1-yloxy-3-methoxyphenyl)ethanol has a molecular weight of 248.32 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohex-2-en-1-yloxy-3-methoxyphenyl)ethanol is sourced from PubChem (CID 114620138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).