3-(cyclohexyloxymethoxy)-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenol

C25H38O3 — CID 155461422

IUPAC3-(cyclohexyloxymethoxy)-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenol
SMILESCCCCCc1cc(O)c(C2C=C(C)CCC2)c(OCOC2CCCCC2)c1
InChIInChI=1S/C25H38O3/c1-3-4-6-11-20-16-23(26)25(21-12-9-10-19(2)15-21)24(17-20)28-18-27-22-13-7-5-8-14-22/h15-17,21-22,26H,3-14,18H2,1-2H3
InChIKeyRQFIQZARHIXBCC-UHFFFAOYSA-N
MW386.58 g/mol
LogP7.02
Rot. Bonds9

About 3-(cyclohexyloxymethoxy)-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenol

3-(cyclohexyloxymethoxy)-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenol (PubChem CID 155461422) has the molecular formula C25H38O3 and a molecular weight of 386.58 g/mol. Its IUPAC name is 3-(cyclohexyloxymethoxy)-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenol.

Molecular Properties

Compound Name3-(cyclohexyloxymethoxy)-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenol
PubChem CID155461422
Molecular FormulaC25H38O3
Molecular Weight386.58 g/mol
Exact Mass386.28
IUPAC Name3-(cyclohexyloxymethoxy)-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenol
SMILESCCCCCc1cc(O)c(C2C=C(C)CCC2)c(OCOC2CCCCC2)c1
InChIInChI=1S/C25H38O3/c1-3-4-6-11-20-16-23(26)25(21-12-9-10-19(2)15-21)24(17-20)28-18-27-22-13-7-5-8-14-22/h15-17,21-22,26H,3-14,18H2,1-2H3
InChIKeyRQFIQZARHIXBCC-UHFFFAOYSA-N
XLogP7.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.58
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(chloromethoxy)-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenol
CID 156727476
2-[(1S)-3-methylcyclohex-2-en-1-yl]-5-pentyl-3-propan-2-yloxyphenol
CID 155575168
methyl N-[[3-hydroxy-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenoxy]methyl]-N-methylcarbamate
CID 155461256
5-decyl-2-(3-methylcyclohex-2-en-1-yl)benzene-1,3-diol;prop-1-ene
CID 155724419
[3-hydroxy-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenyl] carbonochloridate;prop-1-ene
CID 156727455
azane;2-[3-hydroxy-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenoxy]propan-2-yl dihydrogen phosphate
CID 167538191
[3-hydroxy-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenyl] 3-bromopropylsulfanylformate
CID 155447459
3-[benzyl(methoxy)phosphoryl]oxy-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenol
CID 155575815
3-ethyl-4-[3-hydroxy-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenoxy]azetidin-2-one;prop-1-ene
CID 155749030
ethyl 4-[[3-hydroxy-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenoxy]-methoxyphosphoryl]butanoate
CID 155575875
3-[[3-hydroxy-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenoxy]-methoxyphosphoryl]propyl acetate
CID 155575775
[3-(diphenoxyphosphoryloxymethoxy)-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenoxy] diphenyl phosphate
CID 155575836

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexyloxymethoxy)-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenol?
The IUPAC name of 3-(cyclohexyloxymethoxy)-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenol (CID 155461422) is 3-(cyclohexyloxymethoxy)-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenol.
What is the SMILES notation for 3-(cyclohexyloxymethoxy)-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenol?
The canonical SMILES for 3-(cyclohexyloxymethoxy)-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenol is CCCCCc1cc(O)c(C2C=C(C)CCC2)c(OCOC2CCCCC2)c1.
What is the InChIKey of 3-(cyclohexyloxymethoxy)-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenol?
The InChIKey is RQFIQZARHIXBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38O3/c1-3-4-6-11-20-16-23(26)25(21-12-9-10-19(2)15-21)24(17-20)28-18-27-22-13-7-5-8-14-22/h15-17,21-22,26H,3-14,18H2,1-2H3.
What are the key properties of 3-(cyclohexyloxymethoxy)-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenol?
3-(cyclohexyloxymethoxy)-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenol has a molecular weight of 386.58 g/mol, XLogP of 7.02, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexyloxymethoxy)-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenol is sourced from PubChem (CID 155461422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).