5-cyclohexyl-3-(ethenoxymethyl)-2-(3-methylcyclohex-2-en-1-yl)phenol

C22H30O2 — CID 177218838

IUPAC5-cyclohexyl-3-(ethenoxymethyl)-2-(3-methylcyclohex-2-en-1-yl)phenol
SMILESC=COCc1cc(C2CCCCC2)cc(O)c1C1C=C(C)CCC1
InChIInChI=1S/C22H30O2/c1-3-24-15-20-13-19(17-9-5-4-6-10-17)14-21(23)22(20)18-11-7-8-16(2)12-18/h3,12-14,17-18,23H,1,4-11,15H2,2H3
InChIKeyBVXWKDQPUVUMDV-UHFFFAOYSA-N
MW326.48 g/mol
LogP6.31
Rot. Bonds5

About 5-cyclohexyl-3-(ethenoxymethyl)-2-(3-methylcyclohex-2-en-1-yl)phenol

5-cyclohexyl-3-(ethenoxymethyl)-2-(3-methylcyclohex-2-en-1-yl)phenol (PubChem CID 177218838) has the molecular formula C22H30O2 and a molecular weight of 326.48 g/mol. Its IUPAC name is 5-cyclohexyl-3-(ethenoxymethyl)-2-(3-methylcyclohex-2-en-1-yl)phenol.

Molecular Properties

Compound Name5-cyclohexyl-3-(ethenoxymethyl)-2-(3-methylcyclohex-2-en-1-yl)phenol
PubChem CID177218838
Molecular FormulaC22H30O2
Molecular Weight326.48 g/mol
Exact Mass326.22
IUPAC Name5-cyclohexyl-3-(ethenoxymethyl)-2-(3-methylcyclohex-2-en-1-yl)phenol
SMILESC=COCc1cc(C2CCCCC2)cc(O)c1C1C=C(C)CCC1
InChIInChI=1S/C22H30O2/c1-3-24-15-20-13-19(17-9-5-4-6-10-17)14-21(23)22(20)18-11-7-8-16(2)12-18/h3,12-14,17-18,23H,1,4-11,15H2,2H3
InChIKeyBVXWKDQPUVUMDV-UHFFFAOYSA-N
XLogP6.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethane;5-methyl-2-[(1S)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol;prop-1-ene
CID 172579088
4-[(1S)-3-methylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol;prop-1-ene
CID 153373533
4-[(1S)-3-methylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol
CID 153373534
5-(2-hydroxyethyl)-2-[(1S)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol
CID 164541251
2-(3-methylcyclohex-2-en-1-yl)-5-(4-methylphenyl)sulfanyloxybenzene-1,3-diol;prop-1-ene
CID 155724421
5-decyl-2-(3-methylcyclohex-2-en-1-yl)benzene-1,3-diol;prop-1-ene
CID 155724419
(6R)-15-cyclohexyl-9-methyl-5-methylidenetetracyclo[10.4.0.02,4.06,11]hexadeca-1(12),9,13,15-tetraen-13-ol
CID 177218836
5-[(Z)-1-amino-3-ethyliminoprop-1-en-2-yl]-2-(3-methylcyclohex-2-en-1-yl)benzene-1,3-diol;prop-1-ene
CID 164531177
4-ethenoxy-2-hydroxy-3-[(1S)-3-methylcyclohex-2-en-1-yl]-6-pentylbenzoic acid
CID 155570367
5-ethyl-2-(3-methylcyclohex-2-en-1-yl)-4-(morpholin-4-ylmethyl)benzene-1,3-diol;prop-1-ene
CID 172579099
5-ethenoxy-6-(3-methylcyclohex-2-en-1-yl)-3-pentylbenzene-1,2,4-triol
CID 164591554
[3-hydroxy-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenyl] carbonochloridate;prop-1-ene
CID 156727455

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-(ethenoxymethyl)-2-(3-methylcyclohex-2-en-1-yl)phenol?
The IUPAC name of 5-cyclohexyl-3-(ethenoxymethyl)-2-(3-methylcyclohex-2-en-1-yl)phenol (CID 177218838) is 5-cyclohexyl-3-(ethenoxymethyl)-2-(3-methylcyclohex-2-en-1-yl)phenol.
What is the SMILES notation for 5-cyclohexyl-3-(ethenoxymethyl)-2-(3-methylcyclohex-2-en-1-yl)phenol?
The canonical SMILES for 5-cyclohexyl-3-(ethenoxymethyl)-2-(3-methylcyclohex-2-en-1-yl)phenol is C=COCc1cc(C2CCCCC2)cc(O)c1C1C=C(C)CCC1.
What is the InChIKey of 5-cyclohexyl-3-(ethenoxymethyl)-2-(3-methylcyclohex-2-en-1-yl)phenol?
The InChIKey is BVXWKDQPUVUMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O2/c1-3-24-15-20-13-19(17-9-5-4-6-10-17)14-21(23)22(20)18-11-7-8-16(2)12-18/h3,12-14,17-18,23H,1,4-11,15H2,2H3.
What are the key properties of 5-cyclohexyl-3-(ethenoxymethyl)-2-(3-methylcyclohex-2-en-1-yl)phenol?
5-cyclohexyl-3-(ethenoxymethyl)-2-(3-methylcyclohex-2-en-1-yl)phenol has a molecular weight of 326.48 g/mol, XLogP of 6.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-(ethenoxymethyl)-2-(3-methylcyclohex-2-en-1-yl)phenol is sourced from PubChem (CID 177218838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).