2-(4-cyclohexylcyclohexyl)-3-methoxy-5-(2-methylhexan-2-yl)phenol

C26H42O2 — CID 71712031

IUPAC2-(4-cyclohexylcyclohexyl)-3-methoxy-5-(2-methylhexan-2-yl)phenol
SMILESCCCCC(C)(C)c1cc(O)c(C2CCC(C3CCCCC3)CC2)c(OC)c1
InChIInChI=1S/C26H42O2/c1-5-6-16-26(2,3)22-17-23(27)25(24(18-22)28-4)21-14-12-20(13-15-21)19-10-8-7-9-11-19/h17-21,27H,5-16H2,1-4H3
InChIKeyPCTDNGGCZVRXTP-UHFFFAOYSA-N
MW386.62 g/mol
LogP7.72
Rot. Bonds7

About 2-(4-cyclohexylcyclohexyl)-3-methoxy-5-(2-methylhexan-2-yl)phenol

2-(4-cyclohexylcyclohexyl)-3-methoxy-5-(2-methylhexan-2-yl)phenol (PubChem CID 71712031) has the molecular formula C26H42O2 and a molecular weight of 386.62 g/mol. Its IUPAC name is 2-(4-cyclohexylcyclohexyl)-3-methoxy-5-(2-methylhexan-2-yl)phenol.

Molecular Properties

Compound Name2-(4-cyclohexylcyclohexyl)-3-methoxy-5-(2-methylhexan-2-yl)phenol
PubChem CID71712031
Molecular FormulaC26H42O2
Molecular Weight386.62 g/mol
Exact Mass386.32
IUPAC Name2-(4-cyclohexylcyclohexyl)-3-methoxy-5-(2-methylhexan-2-yl)phenol
SMILESCCCCC(C)(C)c1cc(O)c(C2CCC(C3CCCCC3)CC2)c(OC)c1
InChIInChI=1S/C26H42O2/c1-5-6-16-26(2,3)22-17-23(27)25(24(18-22)28-4)21-14-12-20(13-15-21)19-10-8-7-9-11-19/h17-21,27H,5-16H2,1-4H3
InChIKeyPCTDNGGCZVRXTP-UHFFFAOYSA-N
XLogP7.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.62
LogP ≤ 57.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-cyclohexylcyclohexyl)-5-(2-methylhexan-2-yl)benzene-1,3-diol
CID 71664628
2-cyclohexyl-5-(2-methyloctan-2-yl)benzene-1,3-diol
CID 21087760
3-(2-methylhexan-2-yl)-5a,6,7,8,9,9a-hexahydrodibenzofuran-1-ol
CID 12000709
5-[butyl(dimethyl)silyl]-2-cyclopentyl-3-methoxyphenol
CID 155678995
N-cyclohexyl-2,6-dihydroxy-4-(2-methyloctan-2-yl)benzamide
CID 164538930
cis-(2S,3S)-2-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-6-methylidene-3-prop-1-en-2-ylcyclohexan-1-ol
CID 66937893
2-(6-ethyl-3-methylcyclohex-2-en-1-yl)-5-(2-methylhexan-2-yl)benzene-1,3-diol
CID 155118805
3-ethoxy-2-[3-(fluoromethyl)cyclohex-2-en-1-yl]-5-(2-methyloctan-2-yl)phenol
CID 146508229
[(2R)-2-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-6-methylidenecyclohexyl] acetate
CID 66937738
2-[(1S,6S)-3-(hydroxymethyl)-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-(2-methyl-6-piperidin-1-ylhexan-2-yl)benzene-1,3-diol;[(3S,4S)-3-[2-methoxy-6-methyl-4-(2-methyl-6-piperidin-1-ylhexan-2-yl)phenyl]-4-prop-1-en-2-ylcyclohexen-1-yl]methanol
CID 158976259
2-(3-hydroxycyclohexyl)-5-(2-methylhexan-2-yl)phenol
CID 12788248
[7-[3,5-dihydroxy-4-(3-oxocyclohexyl)phenyl]-7-methyloctyl] nitrate
CID 144692649

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylcyclohexyl)-3-methoxy-5-(2-methylhexan-2-yl)phenol?
The IUPAC name of 2-(4-cyclohexylcyclohexyl)-3-methoxy-5-(2-methylhexan-2-yl)phenol (CID 71712031) is 2-(4-cyclohexylcyclohexyl)-3-methoxy-5-(2-methylhexan-2-yl)phenol.
What is the SMILES notation for 2-(4-cyclohexylcyclohexyl)-3-methoxy-5-(2-methylhexan-2-yl)phenol?
The canonical SMILES for 2-(4-cyclohexylcyclohexyl)-3-methoxy-5-(2-methylhexan-2-yl)phenol is CCCCC(C)(C)c1cc(O)c(C2CCC(C3CCCCC3)CC2)c(OC)c1.
What is the InChIKey of 2-(4-cyclohexylcyclohexyl)-3-methoxy-5-(2-methylhexan-2-yl)phenol?
The InChIKey is PCTDNGGCZVRXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42O2/c1-5-6-16-26(2,3)22-17-23(27)25(24(18-22)28-4)21-14-12-20(13-15-21)19-10-8-7-9-11-19/h17-21,27H,5-16H2,1-4H3.
What are the key properties of 2-(4-cyclohexylcyclohexyl)-3-methoxy-5-(2-methylhexan-2-yl)phenol?
2-(4-cyclohexylcyclohexyl)-3-methoxy-5-(2-methylhexan-2-yl)phenol has a molecular weight of 386.62 g/mol, XLogP of 7.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylcyclohexyl)-3-methoxy-5-(2-methylhexan-2-yl)phenol is sourced from PubChem (CID 71712031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).