4-[2-fluoro-4-(4-methylcyclohexyl)decyl]phenol

C23H37FO — CID 70485915

IUPAC4-[2-fluoro-4-(4-methylcyclohexyl)decyl]phenol
SMILESCCCCCCC(CC(F)Cc1ccc(O)cc1)C1CCC(C)CC1
InChIInChI=1S/C23H37FO/c1-3-4-5-6-7-21(20-12-8-18(2)9-13-20)17-22(24)16-19-10-14-23(25)15-11-19/h10-11,14-15,18,20-22,25H,3-9,12-13,16-17H2,1-2H3
InChIKeyQINVPZOKFYQDQB-UHFFFAOYSA-N
MW348.55 g/mol
LogP7.08
Rot. Bonds10

About 4-[2-fluoro-4-(4-methylcyclohexyl)decyl]phenol

4-[2-fluoro-4-(4-methylcyclohexyl)decyl]phenol (PubChem CID 70485915) has the molecular formula C23H37FO and a molecular weight of 348.55 g/mol. Its IUPAC name is 4-[2-fluoro-4-(4-methylcyclohexyl)decyl]phenol.

Molecular Properties

Compound Name4-[2-fluoro-4-(4-methylcyclohexyl)decyl]phenol
PubChem CID70485915
Molecular FormulaC23H37FO
Molecular Weight348.55 g/mol
Exact Mass348.28
IUPAC Name4-[2-fluoro-4-(4-methylcyclohexyl)decyl]phenol
SMILESCCCCCCC(CC(F)Cc1ccc(O)cc1)C1CCC(C)CC1
InChIInChI=1S/C23H37FO/c1-3-4-5-6-7-21(20-12-8-18(2)9-13-20)17-22(24)16-19-10-14-23(25)15-11-19/h10-11,14-15,18,20-22,25H,3-9,12-13,16-17H2,1-2H3
InChIKeyQINVPZOKFYQDQB-UHFFFAOYSA-N
XLogP7.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.55
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(4-butylcyclohexyl)-2-fluorohexyl]phenol
CID 70485947
4-(2-butyltetradecyl)phenol
CID 70630098
4-(2-aminooctyl)phenol
CID 69403996
1-(2-cyclopropylheptyl)-4-phenylbenzene
CID 57023139
4-[2-[1-(4-hydroxyphenyl)dodecan-2-ylsulfanyl]dodecyl]phenol
CID 21440314
1-(4-hydroxyphenyl)octane-2,3-diol
CID 91510264
4-(2-butylheptyl)phenol
CID 118370129
4-[(2S,3R)-2-amino-3-hydroxydodecyl]phenol
CID 118735813
4-(3-heptyldodecyl)phenol
CID 118876079
N-[(2S,3R)-3-hydroxy-1-(4-hydroxyphenyl)tetradecan-2-yl]acetamide
CID 156581196
1-(4-hydroxyphenyl)heptane-2,3-diol
CID 91525672
2-(4-ethylphenyl)-1-(4-methylcyclohexyl)ethanol
CID 63410677

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-4-(4-methylcyclohexyl)decyl]phenol?
The IUPAC name of 4-[2-fluoro-4-(4-methylcyclohexyl)decyl]phenol (CID 70485915) is 4-[2-fluoro-4-(4-methylcyclohexyl)decyl]phenol.
What is the SMILES notation for 4-[2-fluoro-4-(4-methylcyclohexyl)decyl]phenol?
The canonical SMILES for 4-[2-fluoro-4-(4-methylcyclohexyl)decyl]phenol is CCCCCCC(CC(F)Cc1ccc(O)cc1)C1CCC(C)CC1.
What is the InChIKey of 4-[2-fluoro-4-(4-methylcyclohexyl)decyl]phenol?
The InChIKey is QINVPZOKFYQDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37FO/c1-3-4-5-6-7-21(20-12-8-18(2)9-13-20)17-22(24)16-19-10-14-23(25)15-11-19/h10-11,14-15,18,20-22,25H,3-9,12-13,16-17H2,1-2H3.
What are the key properties of 4-[2-fluoro-4-(4-methylcyclohexyl)decyl]phenol?
4-[2-fluoro-4-(4-methylcyclohexyl)decyl]phenol has a molecular weight of 348.55 g/mol, XLogP of 7.08, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-4-(4-methylcyclohexyl)decyl]phenol is sourced from PubChem (CID 70485915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).