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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Related Compounds

2-cyclopentyl-6-[2-(3-cyclopentyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol
CID 71380266
2-cyclohexyl-4,6-bis[[3-ethoxy-4-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]methyl]phenol
CID 23290610
2-cyclopentyl-4-methyl-6-(2-methylpropyl)phenol
CID 3022613
2-cyclopentyl-6-[(3-cyclopentyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol
CID 22770259
4-cyclohexyl-5-ethoxy-2-methylphenol
CID 59929209
1,3-dicyclohexyl-2,5-dimethylbenzene
CID 91568948
4,6-dicyclopentyl-2-[(3,5-dicyclopentyl-2-hydroxy-6-methylphenyl)methyl]-3-methylphenol
CID 6453118
2-(cyclohexylmethyl)-4,6-dimethylphenol
CID 15094976
2-cyclohexyl-4-[(5-cyclohexyl-4-hydroxy-2-methylphenyl)-(2-ethoxyphenyl)methyl]-5-methylphenol
CID 139696622
2-[2-[bis(5-cyclohexyl-4-hydroxy-2-methylphenyl)methyl]-4-[[3-[[3-[bis(5-cyclohexyl-4-hydroxy-2-methylphenyl)methyl]-4-(carboxymethoxy)phenyl]methyl]-2-(carboxymethoxy)-5-methylphenyl]methyl]phenoxy]acetic acid
CID 87221949
2-cyclohexyl-4-(methoxymethyl)-6-methylphenol
CID 143901397
(3,5-dicyclohexyl-4-hydroxyphenyl) propanoate
CID 57050689

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).