2-cyclohexyl-4-[3-(3-cyclohexyl-4-hydroxyphenyl)-5-propyl-1-adamantyl]phenol

C37H50O2 — CID 118338422

IUPAC2-cyclohexyl-4-[3-(3-cyclohexyl-4-hydroxyphenyl)-5-propyl-1-adamantyl]phenol
SMILESCCCC12CC3CC(c4ccc(O)c(C5CCCCC5)c4)(C1)CC(c1ccc(O)c(C4CCCCC4)c1)(C3)C2
InChIInChI=1S/C37H50O2/c1-2-17-35-20-26-21-36(23-35,29-13-15-33(38)31(18-29)27-9-5-3-6-10-27)25-37(22-26,24-35)30-14-16-34(39)32(19-30)28-11-7-4-8-12-28/h13-16,18-19,26-28,38-39H,2-12,17,20-25H2,1H3
InChIKeyXKQQSYACYVSVRQ-UHFFFAOYSA-N
MW526.81 g/mol
LogP10.15
Rot. Bonds6

About 2-cyclohexyl-4-[3-(3-cyclohexyl-4-hydroxyphenyl)-5-propyl-1-adamantyl]phenol

2-cyclohexyl-4-[3-(3-cyclohexyl-4-hydroxyphenyl)-5-propyl-1-adamantyl]phenol (PubChem CID 118338422) has the molecular formula C37H50O2 and a molecular weight of 526.81 g/mol. Its IUPAC name is 2-cyclohexyl-4-[3-(3-cyclohexyl-4-hydroxyphenyl)-5-propyl-1-adamantyl]phenol.

Molecular Properties

Compound Name2-cyclohexyl-4-[3-(3-cyclohexyl-4-hydroxyphenyl)-5-propyl-1-adamantyl]phenol
PubChem CID118338422
Molecular FormulaC37H50O2
Molecular Weight526.81 g/mol
Exact Mass526.38
IUPAC Name2-cyclohexyl-4-[3-(3-cyclohexyl-4-hydroxyphenyl)-5-propyl-1-adamantyl]phenol
SMILESCCCC12CC3CC(c4ccc(O)c(C5CCCCC5)c4)(C1)CC(c1ccc(O)c(C4CCCCC4)c1)(C3)C2
InChIInChI=1S/C37H50O2/c1-2-17-35-20-26-21-36(23-35,29-13-15-33(38)31(18-29)27-9-5-3-6-10-27)25-37(22-26,24-35)30-14-16-34(39)32(19-30)28-11-7-4-8-12-28/h13-16,18-19,26-28,38-39H,2-12,17,20-25H2,1H3
InChIKeyXKQQSYACYVSVRQ-UHFFFAOYSA-N
XLogP10.15
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.81
LogP ≤ 510.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-cyclohexyl-4-[3-(3-cyclohexyl-4-hydroxyphenyl)-5-propyl-1-adamantyl]phenol with MolForge

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Related Compounds

4-[3-(4-hydroxy-3-methylphenyl)-5-propyl-1-adamantyl]-2-methylphenol
CID 118338412
4-[4-[4-[4,4-bis(3-cyclohexyl-4-hydroxyphenyl)cyclohexyl]hexan-3-yl]-1-(3-cyclohexyl-4-hydroxyphenyl)cyclohexyl]-2-cyclohexylphenol
CID 121241230
2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxyphenyl)cyclooctyl]phenol
CID 57059812
2-cyclopentyl-4-[1-(3-cyclopentyl-4-hydroxyphenyl)cyclohexyl]phenol
CID 139959734
2-amino-4-[3-(3-amino-4-hydroxyphenyl)-1-adamantyl]phenol;2-amino-4-[3-[3-(3-amino-4-hydroxyphenyl)-5-butyl-1-adamantyl]-5-butyl-1-adamantyl]phenol
CID 158307622
4-[3-ethyl-5-(4-hydroxyphenyl)-1-adamantyl]phenol
CID 118038366
2-cyclopentyl-4-propylphenol
CID 70792894
4-butan-2-yl-2-cyclohexylphenol
CID 21489929
2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxyphenyl)hexan-2-yl]phenol
CID 139825069
4-amino-2-cyclohexylphenol
CID 4606632
2-cyclopentyl-4-[(3-cyclopentyl-4-hydroxyphenyl)methyl]phenol
CID 139900091
4-bromo-2-cyclohexylphenol
CID 22134516

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-[3-(3-cyclohexyl-4-hydroxyphenyl)-5-propyl-1-adamantyl]phenol?
The IUPAC name of 2-cyclohexyl-4-[3-(3-cyclohexyl-4-hydroxyphenyl)-5-propyl-1-adamantyl]phenol (CID 118338422) is 2-cyclohexyl-4-[3-(3-cyclohexyl-4-hydroxyphenyl)-5-propyl-1-adamantyl]phenol.
What is the SMILES notation for 2-cyclohexyl-4-[3-(3-cyclohexyl-4-hydroxyphenyl)-5-propyl-1-adamantyl]phenol?
The canonical SMILES for 2-cyclohexyl-4-[3-(3-cyclohexyl-4-hydroxyphenyl)-5-propyl-1-adamantyl]phenol is CCCC12CC3CC(c4ccc(O)c(C5CCCCC5)c4)(C1)CC(c1ccc(O)c(C4CCCCC4)c1)(C3)C2.
What is the InChIKey of 2-cyclohexyl-4-[3-(3-cyclohexyl-4-hydroxyphenyl)-5-propyl-1-adamantyl]phenol?
The InChIKey is XKQQSYACYVSVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H50O2/c1-2-17-35-20-26-21-36(23-35,29-13-15-33(38)31(18-29)27-9-5-3-6-10-27)25-37(22-26,24-35)30-14-16-34(39)32(19-30)28-11-7-4-8-12-28/h13-16,18-19,26-28,38-39H,2-12,17,20-25H2,1H3.
What are the key properties of 2-cyclohexyl-4-[3-(3-cyclohexyl-4-hydroxyphenyl)-5-propyl-1-adamantyl]phenol?
2-cyclohexyl-4-[3-(3-cyclohexyl-4-hydroxyphenyl)-5-propyl-1-adamantyl]phenol has a molecular weight of 526.81 g/mol, XLogP of 10.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-[3-(3-cyclohexyl-4-hydroxyphenyl)-5-propyl-1-adamantyl]phenol is sourced from PubChem (CID 118338422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).