2-[(1R)-1-hydroxyundecyl]-4-methylphenol

C18H30O2 — CID 98151788

IUPAC2-[(1R)-1-hydroxyundecyl]-4-methylphenol
SMILESCCCCCCCCCC[C@@H](O)c1cc(C)ccc1O
InChIInChI=1S/C18H30O2/c1-3-4-5-6-7-8-9-10-11-17(19)16-14-15(2)12-13-18(16)20/h12-14,17,19-20H,3-11H2,1-2H3/t17-/m1/s1
InChIKeyKQHXIXZSOKGQJQ-QGZVFWFLSA-N
MW278.44 g/mol
LogP5.26
Rot. Bonds10

About 2-[(1R)-1-hydroxyundecyl]-4-methylphenol

2-[(1R)-1-hydroxyundecyl]-4-methylphenol (PubChem CID 98151788) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-[(1R)-1-hydroxyundecyl]-4-methylphenol.

Molecular Properties

Compound Name2-[(1R)-1-hydroxyundecyl]-4-methylphenol
PubChem CID98151788
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name2-[(1R)-1-hydroxyundecyl]-4-methylphenol
SMILESCCCCCCCCCC[C@@H](O)c1cc(C)ccc1O
InChIInChI=1S/C18H30O2/c1-3-4-5-6-7-8-9-10-11-17(19)16-14-15(2)12-13-18(16)20/h12-14,17,19-20H,3-11H2,1-2H3/t17-/m1/s1
InChIKeyKQHXIXZSOKGQJQ-QGZVFWFLSA-N
XLogP5.26
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 55.26
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

2-[(1R)-1-aminohexyl]-4-methylphenol;hydrochloride
CID 171202311
1-(2-fluoro-5-methylphenyl)undecan-1-ol
CID 115789089
1-(2-methoxy-5-methylphenyl)decan-1-ol
CID 65427724
1-(2-methoxy-5-methylphenyl)pentan-1-ol
CID 61080930
1-(3-methylphenyl)decan-1-ol
CID 63411280
1-(2-fluoro-4-methylphenyl)pentan-1-ol
CID 115783255
4-hydroxy-3-(1-hydroxypentyl)benzoic acid
CID 10466191
octane;octan-2-ol;bis(1,4-xylene)
CID 161441445
2-butylsulfanyl-1-(2-hydroxy-5-methylphenyl)octan-1-one
CID 5188497
1-(4-methyl-2-pyridinyl)tridecan-1-ol
CID 63840083
4-methyl-2-[1,2,2-tris(2-hydroxy-5-methylphenyl)ethyl]phenol
CID 154108469
(E)-4-[2-(1-hydroxyhexyl)-4-methylphenyl]but-3-enoic acid
CID 44605342

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-hydroxyundecyl]-4-methylphenol?
The IUPAC name of 2-[(1R)-1-hydroxyundecyl]-4-methylphenol (CID 98151788) is 2-[(1R)-1-hydroxyundecyl]-4-methylphenol.
What is the SMILES notation for 2-[(1R)-1-hydroxyundecyl]-4-methylphenol?
The canonical SMILES for 2-[(1R)-1-hydroxyundecyl]-4-methylphenol is CCCCCCCCCC[C@@H](O)c1cc(C)ccc1O.
What is the InChIKey of 2-[(1R)-1-hydroxyundecyl]-4-methylphenol?
The InChIKey is KQHXIXZSOKGQJQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H30O2/c1-3-4-5-6-7-8-9-10-11-17(19)16-14-15(2)12-13-18(16)20/h12-14,17,19-20H,3-11H2,1-2H3/t17-/m1/s1.
What are the key properties of 2-[(1R)-1-hydroxyundecyl]-4-methylphenol?
2-[(1R)-1-hydroxyundecyl]-4-methylphenol has a molecular weight of 278.44 g/mol, XLogP of 5.26, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-hydroxyundecyl]-4-methylphenol is sourced from PubChem (CID 98151788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).