cyclohex-3-en-1-yl-(3,4-diethoxyphenyl)methanol

C17H24O3 — CID 63900983

IUPACcyclohex-3-en-1-yl-(3,4-diethoxyphenyl)methanol
SMILESCCOc1ccc(C(O)C2CC=CCC2)cc1OCC
InChIInChI=1S/C17H24O3/c1-3-19-15-11-10-14(12-16(15)20-4-2)17(18)13-8-6-5-7-9-13/h5-6,10-13,17-18H,3-4,7-9H2,1-2H3
InChIKeyBDMQJDHSFFEIPP-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.87
Rot. Bonds6

About cyclohex-3-en-1-yl-(3,4-diethoxyphenyl)methanol

cyclohex-3-en-1-yl-(3,4-diethoxyphenyl)methanol (PubChem CID 63900983) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-(3,4-diethoxyphenyl)methanol.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-(3,4-diethoxyphenyl)methanol
PubChem CID63900983
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Namecyclohex-3-en-1-yl-(3,4-diethoxyphenyl)methanol
SMILESCCOc1ccc(C(O)C2CC=CCC2)cc1OCC
InChIInChI=1S/C17H24O3/c1-3-19-15-11-10-14(12-16(15)20-4-2)17(18)13-8-6-5-7-9-13/h5-6,10-13,17-18H,3-4,7-9H2,1-2H3
InChIKeyBDMQJDHSFFEIPP-UHFFFAOYSA-N
XLogP3.87
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.87
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

(3,4-diethoxyphenyl)-(oxan-4-yl)methanol
CID 62905165
cyclohex-3-en-1-yl-(3,4-dimethylphenyl)methanol
CID 63900775
cyclohex-3-en-1-yl-(3-propylphenyl)methanol
CID 116542536
(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82758130
1-(3,4-diethoxyphenyl)-2-ethoxybutan-1-ol
CID 116711202
2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-amine
CID 83154180
(S)-cyclopropyl-(4-ethoxy-3-methoxyphenyl)methanamine
CID 171231843
2-amino-1-(3,4-diethoxyphenyl)ethanol
CID 18627975
2-cyclopentyl-2-(3,4-diethoxyphenyl)ethanamine
CID 83973829
cyclohex-3-en-1-yl-(1-propylpyrazol-4-yl)methanol
CID 63901804
cyclohex-3-en-1-yl-(2,5-dimethylphenyl)methanol
CID 63902412
4-(3,4-diethoxyphenyl)hexane-1,2-diol
CID 83923632

Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-yl-(3,4-diethoxyphenyl)methanol?
The IUPAC name of cyclohex-3-en-1-yl-(3,4-diethoxyphenyl)methanol (CID 63900983) is cyclohex-3-en-1-yl-(3,4-diethoxyphenyl)methanol.
What is the SMILES notation for cyclohex-3-en-1-yl-(3,4-diethoxyphenyl)methanol?
The canonical SMILES for cyclohex-3-en-1-yl-(3,4-diethoxyphenyl)methanol is CCOc1ccc(C(O)C2CC=CCC2)cc1OCC.
What is the InChIKey of cyclohex-3-en-1-yl-(3,4-diethoxyphenyl)methanol?
The InChIKey is BDMQJDHSFFEIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-3-19-15-11-10-14(12-16(15)20-4-2)17(18)13-8-6-5-7-9-13/h5-6,10-13,17-18H,3-4,7-9H2,1-2H3.
What are the key properties of cyclohex-3-en-1-yl-(3,4-diethoxyphenyl)methanol?
cyclohex-3-en-1-yl-(3,4-diethoxyphenyl)methanol has a molecular weight of 276.38 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-(3,4-diethoxyphenyl)methanol is sourced from PubChem (CID 63900983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).