4-[4-[2-(4-hydroxyphenyl)nonan-2-yl]cyclohexen-1-yl]phenol

C27H36O2 — CID 139944963

IUPAC4-[4-[2-(4-hydroxyphenyl)nonan-2-yl]cyclohexen-1-yl]phenol
SMILESCCCCCCCC(C)(c1ccc(O)cc1)C1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C27H36O2/c1-3-4-5-6-7-20-27(2,24-14-18-26(29)19-15-24)23-12-8-21(9-13-23)22-10-16-25(28)17-11-22/h8,10-11,14-19,23,28-29H,3-7,9,12-13,20H2,1-2H3
InChIKeyQKZWXPHPQGZNPS-UHFFFAOYSA-N
MW392.58 g/mol
LogP7.60
Rot. Bonds9

About 4-[4-[2-(4-hydroxyphenyl)nonan-2-yl]cyclohexen-1-yl]phenol

4-[4-[2-(4-hydroxyphenyl)nonan-2-yl]cyclohexen-1-yl]phenol (PubChem CID 139944963) has the molecular formula C27H36O2 and a molecular weight of 392.58 g/mol. Its IUPAC name is 4-[4-[2-(4-hydroxyphenyl)nonan-2-yl]cyclohexen-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[2-(4-hydroxyphenyl)nonan-2-yl]cyclohexen-1-yl]phenol
PubChem CID139944963
Molecular FormulaC27H36O2
Molecular Weight392.58 g/mol
Exact Mass392.27
IUPAC Name4-[4-[2-(4-hydroxyphenyl)nonan-2-yl]cyclohexen-1-yl]phenol
SMILESCCCCCCCC(C)(c1ccc(O)cc1)C1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C27H36O2/c1-3-4-5-6-7-20-27(2,24-14-18-26(29)19-15-24)23-12-8-21(9-13-23)22-10-16-25(28)17-11-22/h8,10-11,14-19,23,28-29H,3-7,9,12-13,20H2,1-2H3
InChIKeyQKZWXPHPQGZNPS-UHFFFAOYSA-N
XLogP7.60
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.58
LogP ≤ 57.60
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-[2-(4-hydroxyphenyl)heptan-2-yl]cyclohexen-1-yl]phenol
CID 139944982
4-[4-[2-(4-hydroxyphenyl)-4-methylhexan-2-yl]cyclohexen-1-yl]phenol
CID 139945026
4-(2-hydroxyheptan-2-yl)phenol
CID 83075318
1-(4-heptylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene
CID 20538103
1-(4-decylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene
CID 20538384
2-hexyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol
CID 68964944
1-(4-tert-butylcyclohexen-1-yl)-4-ethylbenzene
CID 90705107
4-[1-hydroxy-1-(4-hydroxyphenyl)hexyl]phenol
CID 176549598
4-[3-(4-hydroxyphenyl)octadecan-3-yl]phenol
CID 139639448
4-(2-phenyloctan-2-yl)phenol
CID 174541966
4,4-bis(4-hydroxyphenyl)heptadecanoic acid
CID 68655548
1-(4-hexylcyclohexen-1-yl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
CID 20538280

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-hydroxyphenyl)nonan-2-yl]cyclohexen-1-yl]phenol?
The IUPAC name of 4-[4-[2-(4-hydroxyphenyl)nonan-2-yl]cyclohexen-1-yl]phenol (CID 139944963) is 4-[4-[2-(4-hydroxyphenyl)nonan-2-yl]cyclohexen-1-yl]phenol.
What is the SMILES notation for 4-[4-[2-(4-hydroxyphenyl)nonan-2-yl]cyclohexen-1-yl]phenol?
The canonical SMILES for 4-[4-[2-(4-hydroxyphenyl)nonan-2-yl]cyclohexen-1-yl]phenol is CCCCCCCC(C)(c1ccc(O)cc1)C1CC=C(c2ccc(O)cc2)CC1.
What is the InChIKey of 4-[4-[2-(4-hydroxyphenyl)nonan-2-yl]cyclohexen-1-yl]phenol?
The InChIKey is QKZWXPHPQGZNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36O2/c1-3-4-5-6-7-20-27(2,24-14-18-26(29)19-15-24)23-12-8-21(9-13-23)22-10-16-25(28)17-11-22/h8,10-11,14-19,23,28-29H,3-7,9,12-13,20H2,1-2H3.
What are the key properties of 4-[4-[2-(4-hydroxyphenyl)nonan-2-yl]cyclohexen-1-yl]phenol?
4-[4-[2-(4-hydroxyphenyl)nonan-2-yl]cyclohexen-1-yl]phenol has a molecular weight of 392.58 g/mol, XLogP of 7.60, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-hydroxyphenyl)nonan-2-yl]cyclohexen-1-yl]phenol is sourced from PubChem (CID 139944963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).