2-cyclohexyl-6-ethyl-3-(hexoxymethyl)phenol

C21H34O2 — CID 68901705

IUPAC2-cyclohexyl-6-ethyl-3-(hexoxymethyl)phenol
SMILESCCCCCCOCc1ccc(CC)c(O)c1C1CCCCC1
InChIInChI=1S/C21H34O2/c1-3-5-6-10-15-23-16-19-14-13-17(4-2)21(22)20(19)18-11-8-7-9-12-18/h13-14,18,22H,3-12,15-16H2,1-2H3
InChIKeyNBSUYESTQNPPSX-UHFFFAOYSA-N
MW318.50 g/mol
LogP6.10
Rot. Bonds9

About 2-cyclohexyl-6-ethyl-3-(hexoxymethyl)phenol

2-cyclohexyl-6-ethyl-3-(hexoxymethyl)phenol (PubChem CID 68901705) has the molecular formula C21H34O2 and a molecular weight of 318.50 g/mol. Its IUPAC name is 2-cyclohexyl-6-ethyl-3-(hexoxymethyl)phenol.

Molecular Properties

Compound Name2-cyclohexyl-6-ethyl-3-(hexoxymethyl)phenol
PubChem CID68901705
Molecular FormulaC21H34O2
Molecular Weight318.50 g/mol
Exact Mass318.26
IUPAC Name2-cyclohexyl-6-ethyl-3-(hexoxymethyl)phenol
SMILESCCCCCCOCc1ccc(CC)c(O)c1C1CCCCC1
InChIInChI=1S/C21H34O2/c1-3-5-6-10-15-23-16-19-14-13-17(4-2)21(22)20(19)18-11-8-7-9-12-18/h13-14,18,22H,3-12,15-16H2,1-2H3
InChIKeyNBSUYESTQNPPSX-UHFFFAOYSA-N
XLogP6.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-4-heptoxybenzene
CID 56628106
4-(hexoxymethyl)phenol
CID 14816980
sodium 3-undecoxy-4-(undecoxymethyl)benzoate
CID 23718360
2-cyclohexyl-5-(2-methyloctan-2-yl)benzene-1,3-diol
CID 21087760
5-(octoxymethyl)quinolin-8-ol;hydrochloride
CID 46946912
3-amino-4-(heptoxymethyl)benzamide
CID 43376790
1-cyclopentyl-2-octoxyethanone
CID 104751834
4-(hexadecoxymethyl)benzene-1,3-diamine
CID 139899146
2-cyclohexyl-9,10-di(nonoxy)anthracene
CID 143598895
(3-cyclohexyl-5-ethyl-2-hydroxy-4-methylphenyl) hydrogen carbonate
CID 87859435
5-(hexoxymethyl)-2-methylquinolin-8-ol
CID 15817747
(3-cyclohexyl-4,5-diethyl-2-hydroxyphenyl) hydrogen carbonate
CID 87859267

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-ethyl-3-(hexoxymethyl)phenol?
The IUPAC name of 2-cyclohexyl-6-ethyl-3-(hexoxymethyl)phenol (CID 68901705) is 2-cyclohexyl-6-ethyl-3-(hexoxymethyl)phenol.
What is the SMILES notation for 2-cyclohexyl-6-ethyl-3-(hexoxymethyl)phenol?
The canonical SMILES for 2-cyclohexyl-6-ethyl-3-(hexoxymethyl)phenol is CCCCCCOCc1ccc(CC)c(O)c1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-6-ethyl-3-(hexoxymethyl)phenol?
The InChIKey is NBSUYESTQNPPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O2/c1-3-5-6-10-15-23-16-19-14-13-17(4-2)21(22)20(19)18-11-8-7-9-12-18/h13-14,18,22H,3-12,15-16H2,1-2H3.
What are the key properties of 2-cyclohexyl-6-ethyl-3-(hexoxymethyl)phenol?
2-cyclohexyl-6-ethyl-3-(hexoxymethyl)phenol has a molecular weight of 318.50 g/mol, XLogP of 6.10, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-ethyl-3-(hexoxymethyl)phenol is sourced from PubChem (CID 68901705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).