2-cyclohexyl-6-[(3-cyclohexyl-2-ethoxy-5-methylphenyl)methyl]-4-methylphenol

C29H40O2 — CID 20576552

IUPAC2-cyclohexyl-6-[(3-cyclohexyl-2-ethoxy-5-methylphenyl)methyl]-4-methylphenol
SMILESCCOc1c(Cc2cc(C)cc(C3CCCCC3)c2O)cc(C)cc1C1CCCCC1
InChIInChI=1S/C29H40O2/c1-4-31-29-25(16-21(3)18-27(29)23-13-9-6-10-14-23)19-24-15-20(2)17-26(28(24)30)22-11-7-5-8-12-22/h15-18,22-23,30H,4-14,19H2,1-3H3
InChIKeyDZLRUWUYPYZYIJ-UHFFFAOYSA-N
MW420.64 g/mol
LogP8.09
Rot. Bonds6

About 2-cyclohexyl-6-[(3-cyclohexyl-2-ethoxy-5-methylphenyl)methyl]-4-methylphenol

2-cyclohexyl-6-[(3-cyclohexyl-2-ethoxy-5-methylphenyl)methyl]-4-methylphenol (PubChem CID 20576552) has the molecular formula C29H40O2 and a molecular weight of 420.64 g/mol. Its IUPAC name is 2-cyclohexyl-6-[(3-cyclohexyl-2-ethoxy-5-methylphenyl)methyl]-4-methylphenol.

Molecular Properties

Compound Name2-cyclohexyl-6-[(3-cyclohexyl-2-ethoxy-5-methylphenyl)methyl]-4-methylphenol
PubChem CID20576552
Molecular FormulaC29H40O2
Molecular Weight420.64 g/mol
Exact Mass420.30
IUPAC Name2-cyclohexyl-6-[(3-cyclohexyl-2-ethoxy-5-methylphenyl)methyl]-4-methylphenol
SMILESCCOc1c(Cc2cc(C)cc(C3CCCCC3)c2O)cc(C)cc1C1CCCCC1
InChIInChI=1S/C29H40O2/c1-4-31-29-25(16-21(3)18-27(29)23-13-9-6-10-14-23)19-24-15-20(2)17-26(28(24)30)22-11-7-5-8-12-22/h15-18,22-23,30H,4-14,19H2,1-3H3
InChIKeyDZLRUWUYPYZYIJ-UHFFFAOYSA-N
XLogP8.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.64
LogP ≤ 58.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-[(3-cyclohexyl-2-ethoxy-5-methylphenyl)methyl]-4-methylphenol?
The IUPAC name of 2-cyclohexyl-6-[(3-cyclohexyl-2-ethoxy-5-methylphenyl)methyl]-4-methylphenol (CID 20576552) is 2-cyclohexyl-6-[(3-cyclohexyl-2-ethoxy-5-methylphenyl)methyl]-4-methylphenol.
What is the SMILES notation for 2-cyclohexyl-6-[(3-cyclohexyl-2-ethoxy-5-methylphenyl)methyl]-4-methylphenol?
The canonical SMILES for 2-cyclohexyl-6-[(3-cyclohexyl-2-ethoxy-5-methylphenyl)methyl]-4-methylphenol is CCOc1c(Cc2cc(C)cc(C3CCCCC3)c2O)cc(C)cc1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-6-[(3-cyclohexyl-2-ethoxy-5-methylphenyl)methyl]-4-methylphenol?
The InChIKey is DZLRUWUYPYZYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40O2/c1-4-31-29-25(16-21(3)18-27(29)23-13-9-6-10-14-23)19-24-15-20(2)17-26(28(24)30)22-11-7-5-8-12-22/h15-18,22-23,30H,4-14,19H2,1-3H3.
What are the key properties of 2-cyclohexyl-6-[(3-cyclohexyl-2-ethoxy-5-methylphenyl)methyl]-4-methylphenol?
2-cyclohexyl-6-[(3-cyclohexyl-2-ethoxy-5-methylphenyl)methyl]-4-methylphenol has a molecular weight of 420.64 g/mol, XLogP of 8.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-[(3-cyclohexyl-2-ethoxy-5-methylphenyl)methyl]-4-methylphenol is sourced from PubChem (CID 20576552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).