4-[4-[1-(4-hydroxyphenyl)-3-methylhexyl]cyclohexyl]phenol

C25H34O2 — CID 139945023

IUPAC4-[4-[1-(4-hydroxyphenyl)-3-methylhexyl]cyclohexyl]phenol
SMILESCCCC(C)CC(c1ccc(O)cc1)C1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C25H34O2/c1-3-4-18(2)17-25(22-11-15-24(27)16-12-22)21-7-5-19(6-8-21)20-9-13-23(26)14-10-20/h9-16,18-19,21,25-27H,3-8,17H2,1-2H3
InChIKeyBSLLEXKURWDDHB-UHFFFAOYSA-N
MW366.55 g/mol
LogP6.98
Rot. Bonds7

About 4-[4-[1-(4-hydroxyphenyl)-3-methylhexyl]cyclohexyl]phenol

4-[4-[1-(4-hydroxyphenyl)-3-methylhexyl]cyclohexyl]phenol (PubChem CID 139945023) has the molecular formula C25H34O2 and a molecular weight of 366.55 g/mol. Its IUPAC name is 4-[4-[1-(4-hydroxyphenyl)-3-methylhexyl]cyclohexyl]phenol.

Molecular Properties

Compound Name4-[4-[1-(4-hydroxyphenyl)-3-methylhexyl]cyclohexyl]phenol
PubChem CID139945023
Molecular FormulaC25H34O2
Molecular Weight366.55 g/mol
Exact Mass366.26
IUPAC Name4-[4-[1-(4-hydroxyphenyl)-3-methylhexyl]cyclohexyl]phenol
SMILESCCCC(C)CC(c1ccc(O)cc1)C1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C25H34O2/c1-3-4-18(2)17-25(22-11-15-24(27)16-12-22)21-7-5-19(6-8-21)20-9-13-23(26)14-10-20/h9-16,18-19,21,25-27H,3-8,17H2,1-2H3
InChIKeyBSLLEXKURWDDHB-UHFFFAOYSA-N
XLogP6.98
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 56.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(4-hydroxyphenyl)-3-methylhexyl]cyclohexyl]phenol?
The IUPAC name of 4-[4-[1-(4-hydroxyphenyl)-3-methylhexyl]cyclohexyl]phenol (CID 139945023) is 4-[4-[1-(4-hydroxyphenyl)-3-methylhexyl]cyclohexyl]phenol.
What is the SMILES notation for 4-[4-[1-(4-hydroxyphenyl)-3-methylhexyl]cyclohexyl]phenol?
The canonical SMILES for 4-[4-[1-(4-hydroxyphenyl)-3-methylhexyl]cyclohexyl]phenol is CCCC(C)CC(c1ccc(O)cc1)C1CCC(c2ccc(O)cc2)CC1.
What is the InChIKey of 4-[4-[1-(4-hydroxyphenyl)-3-methylhexyl]cyclohexyl]phenol?
The InChIKey is BSLLEXKURWDDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O2/c1-3-4-18(2)17-25(22-11-15-24(27)16-12-22)21-7-5-19(6-8-21)20-9-13-23(26)14-10-20/h9-16,18-19,21,25-27H,3-8,17H2,1-2H3.
What are the key properties of 4-[4-[1-(4-hydroxyphenyl)-3-methylhexyl]cyclohexyl]phenol?
4-[4-[1-(4-hydroxyphenyl)-3-methylhexyl]cyclohexyl]phenol has a molecular weight of 366.55 g/mol, XLogP of 6.98, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(4-hydroxyphenyl)-3-methylhexyl]cyclohexyl]phenol is sourced from PubChem (CID 139945023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).