4-cyclodecyl-2-methylphenol

C17H26O — CID 153407623

IUPAC4-cyclodecyl-2-methylphenol
SMILESCc1cc(C2CCCCCCCCC2)ccc1O
InChIInChI=1S/C17H26O/c1-14-13-16(11-12-17(14)18)15-9-7-5-3-2-4-6-8-10-15/h11-13,15,18H,2-10H2,1H3
InChIKeyNVRFCMCFUJVOKH-UHFFFAOYSA-N
MW246.39 g/mol
LogP5.31
Rot. Bonds1

About 4-cyclodecyl-2-methylphenol

4-cyclodecyl-2-methylphenol (PubChem CID 153407623) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 4-cyclodecyl-2-methylphenol.

Molecular Properties

Compound Name4-cyclodecyl-2-methylphenol
PubChem CID153407623
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name4-cyclodecyl-2-methylphenol
SMILESCc1cc(C2CCCCCCCCC2)ccc1O
InChIInChI=1S/C17H26O/c1-14-13-16(11-12-17(14)18)15-9-7-5-3-2-4-6-8-10-15/h11-13,15,18H,2-10H2,1H3
InChIKeyNVRFCMCFUJVOKH-UHFFFAOYSA-N
XLogP5.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.39
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-cyclohexyl-2-methylphenol;2,4-dimethylphenol
CID 144772724
2-methyl-4-piperidin-3-ylphenol
CID 84663479
4-cyclododecyl-2-fluorophenol
CID 146306960
4-cyclohexyl-2-[1,2,2-tris(5-cyclohexyl-2-hydroxyphenyl)ethenyl]phenol
CID 165388703
2-bromo-4-cyclohexylphenol
CID 519121
4-[3-(4-hydroxy-3-methylphenyl)-5-(4-hydroxyphenyl)cyclohexyl]-2-methylphenol
CID 171474669
2,5-di(cyclononyl)phenol
CID 57426125
2-methyl-4-[(2R)-piperidin-2-yl]phenol
CID 131198389
methyl 4-cycloheptyl-2-methylbenzoate
CID 135331828
2-methyl-4-pyrrolidin-2-ylphenol
CID 55283669
2-cycloheptyl-5-methylbenzene-1,4-diol
CID 59639034
2-bromo-4-cyclobutylphenol
CID 162421229

Frequently Asked Questions

What is the IUPAC name of 4-cyclodecyl-2-methylphenol?
The IUPAC name of 4-cyclodecyl-2-methylphenol (CID 153407623) is 4-cyclodecyl-2-methylphenol.
What is the SMILES notation for 4-cyclodecyl-2-methylphenol?
The canonical SMILES for 4-cyclodecyl-2-methylphenol is Cc1cc(C2CCCCCCCCC2)ccc1O.
What is the InChIKey of 4-cyclodecyl-2-methylphenol?
The InChIKey is NVRFCMCFUJVOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-14-13-16(11-12-17(14)18)15-9-7-5-3-2-4-6-8-10-15/h11-13,15,18H,2-10H2,1H3.
What are the key properties of 4-cyclodecyl-2-methylphenol?
4-cyclodecyl-2-methylphenol has a molecular weight of 246.39 g/mol, XLogP of 5.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclodecyl-2-methylphenol is sourced from PubChem (CID 153407623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).