4-[1-(4-hydroxyphenyl)-4-(4-nonylcyclohexyl)cyclohexyl]phenol

C33H48O2 — CID 19873605

IUPAC4-[1-(4-hydroxyphenyl)-4-(4-nonylcyclohexyl)cyclohexyl]phenol
SMILESCCCCCCCCCC1CCC(C2CCC(c3ccc(O)cc3)(c3ccc(O)cc3)CC2)CC1
InChIInChI=1S/C33H48O2/c1-2-3-4-5-6-7-8-9-26-10-12-27(13-11-26)28-22-24-33(25-23-28,29-14-18-31(34)19-15-29)30-16-20-32(35)21-17-30/h14-21,26-28,34-35H,2-13,22-25H2,1H3
InChIKeyXBOZRSHYMJAQNO-UHFFFAOYSA-N
MW476.75 g/mol
LogP9.52
Rot. Bonds11

About 4-[1-(4-hydroxyphenyl)-4-(4-nonylcyclohexyl)cyclohexyl]phenol

4-[1-(4-hydroxyphenyl)-4-(4-nonylcyclohexyl)cyclohexyl]phenol (PubChem CID 19873605) has the molecular formula C33H48O2 and a molecular weight of 476.75 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)-4-(4-nonylcyclohexyl)cyclohexyl]phenol.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)-4-(4-nonylcyclohexyl)cyclohexyl]phenol
PubChem CID19873605
Molecular FormulaC33H48O2
Molecular Weight476.75 g/mol
Exact Mass476.37
IUPAC Name4-[1-(4-hydroxyphenyl)-4-(4-nonylcyclohexyl)cyclohexyl]phenol
SMILESCCCCCCCCCC1CCC(C2CCC(c3ccc(O)cc3)(c3ccc(O)cc3)CC2)CC1
InChIInChI=1S/C33H48O2/c1-2-3-4-5-6-7-8-9-26-10-12-27(13-11-26)28-22-24-33(25-23-28,29-14-18-31(34)19-15-29)30-16-20-32(35)21-17-30/h14-21,26-28,34-35H,2-13,22-25H2,1H3
InChIKeyXBOZRSHYMJAQNO-UHFFFAOYSA-N
XLogP9.52
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.75
LogP ≤ 59.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-ethylcyclohexyl)-1-(4-hydroxyphenyl)cyclohexyl]phenol
CID 19873642
4-[1-(4-hydroxyphenyl)-4-propylcyclohexyl]phenol
CID 11034267
[4-[4-(4-heptylcyclohexyl)-1-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl]phenyl] 2-methylprop-2-enoate
CID 89417596
4-[4-(4-heptylcyclohexyl)cyclohexyl]phenol
CID 139983091
[4-[1-[4-(2-methylprop-2-enoyloxy)phenyl]-4-(4-pentylcyclohexyl)cyclohexyl]phenyl] 2-methylprop-2-enoate
CID 89349323
3-[4-[1-[4-(3-aminophenoxy)phenyl]-4-(4-pentadecylcyclohexyl)cyclohexyl]phenoxy]aniline;3-[4-[1-[4-(3-aminophenoxy)phenyl]-4-(4-tetradecylcyclohexyl)cyclohexyl]phenoxy]aniline
CID 160676942
4-[4-[4,4-bis(4-hydroxyphenyl)cyclohexyl]-1-(4-hydroxyphenyl)cyclohexyl]phenol;4-[4-[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]-1-(4-hydroxyphenyl)cyclohexyl]phenol
CID 158636490
4-[1-(4-aminophenyl)-4-[(4-hexylcyclohexyl)methyl]cyclohexyl]aniline
CID 22316010
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
4-[[4-[1-[4-[(4-aminophenyl)methyl]phenyl]-4-[2-(4-heptylcyclohexyl)ethyl]cyclohexyl]phenyl]methyl]aniline
CID 22316145

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxyphenyl)-4-(4-nonylcyclohexyl)cyclohexyl]phenol?
The IUPAC name of 4-[1-(4-hydroxyphenyl)-4-(4-nonylcyclohexyl)cyclohexyl]phenol (CID 19873605) is 4-[1-(4-hydroxyphenyl)-4-(4-nonylcyclohexyl)cyclohexyl]phenol.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)-4-(4-nonylcyclohexyl)cyclohexyl]phenol?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)-4-(4-nonylcyclohexyl)cyclohexyl]phenol is CCCCCCCCCC1CCC(C2CCC(c3ccc(O)cc3)(c3ccc(O)cc3)CC2)CC1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)-4-(4-nonylcyclohexyl)cyclohexyl]phenol?
The InChIKey is XBOZRSHYMJAQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H48O2/c1-2-3-4-5-6-7-8-9-26-10-12-27(13-11-26)28-22-24-33(25-23-28,29-14-18-31(34)19-15-29)30-16-20-32(35)21-17-30/h14-21,26-28,34-35H,2-13,22-25H2,1H3.
What are the key properties of 4-[1-(4-hydroxyphenyl)-4-(4-nonylcyclohexyl)cyclohexyl]phenol?
4-[1-(4-hydroxyphenyl)-4-(4-nonylcyclohexyl)cyclohexyl]phenol has a molecular weight of 476.75 g/mol, XLogP of 9.52, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxyphenyl)-4-(4-nonylcyclohexyl)cyclohexyl]phenol is sourced from PubChem (CID 19873605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).