2-[(1S)-2-hydroxy-1-phenylethyl]-3,5-dimethylphenol

C16H18O2 — CID 23628862

IUPAC2-[(1S)-2-hydroxy-1-phenylethyl]-3,5-dimethylphenol
SMILESCc1cc(C)c([C@@H](CO)c2ccccc2)c(O)c1
InChIInChI=1S/C16H18O2/c1-11-8-12(2)16(15(18)9-11)14(10-17)13-6-4-3-5-7-13/h3-9,14,17-18H,10H2,1-2H3/t14-/m0/s1
InChIKeyDAAHMJRAAFSAHF-AWEZNQCLSA-N
MW242.32 g/mol
LogP3.13
Rot. Bonds3

About 2-[(1S)-2-hydroxy-1-phenylethyl]-3,5-dimethylphenol

2-[(1S)-2-hydroxy-1-phenylethyl]-3,5-dimethylphenol (PubChem CID 23628862) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[(1S)-2-hydroxy-1-phenylethyl]-3,5-dimethylphenol.

Molecular Properties

Compound Name2-[(1S)-2-hydroxy-1-phenylethyl]-3,5-dimethylphenol
PubChem CID23628862
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name2-[(1S)-2-hydroxy-1-phenylethyl]-3,5-dimethylphenol
SMILESCc1cc(C)c([C@@H](CO)c2ccccc2)c(O)c1
InChIInChI=1S/C16H18O2/c1-11-8-12(2)16(15(18)9-11)14(10-17)13-6-4-3-5-7-13/h3-9,14,17-18H,10H2,1-2H3/t14-/m0/s1
InChIKeyDAAHMJRAAFSAHF-AWEZNQCLSA-N
XLogP3.13
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-4-(2,4,6-trimethylphenyl)butan-2-one
CID 102313835
2-[(2-hydroxy-4,6-dimethylphenyl)-(3-hydroxyphenyl)methyl]-3,5-dimethylphenol
CID 22338935
5-methyl-3-phenyl-2-propan-2-ylphenol
CID 70085358
4-[bis(2-hydroxy-4,6-dimethylphenyl)methyl]benzene-1,2-diol
CID 22338943
2-(2,4,6-trimethylphenyl)propane-1,3-diol
CID 82112091
2-[(1R)-1-aminoethyl]-3,5-dimethylphenol
CID 55276249
2,6-bis[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4-methylphenol
CID 136883517
2-anthracen-9-yl-2-phenylethanol
CID 87369453
2-[(1S)-1-aminopropyl]-3,5-dimethylphenol
CID 130840850
3,3-diphenyl-1-(2,4,6-trimethylphenyl)propan-1-one
CID 3112974
2-phenyl-2-(2,4,6-trimethylphenyl)acetate
CID 78425392
2-(3-hydroxy-2-phenylpropanoyl)-3,5-dimethylbenzoic acid
CID 70040052

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2-hydroxy-1-phenylethyl]-3,5-dimethylphenol?
The IUPAC name of 2-[(1S)-2-hydroxy-1-phenylethyl]-3,5-dimethylphenol (CID 23628862) is 2-[(1S)-2-hydroxy-1-phenylethyl]-3,5-dimethylphenol.
What is the SMILES notation for 2-[(1S)-2-hydroxy-1-phenylethyl]-3,5-dimethylphenol?
The canonical SMILES for 2-[(1S)-2-hydroxy-1-phenylethyl]-3,5-dimethylphenol is Cc1cc(C)c([C@@H](CO)c2ccccc2)c(O)c1.
What is the InChIKey of 2-[(1S)-2-hydroxy-1-phenylethyl]-3,5-dimethylphenol?
The InChIKey is DAAHMJRAAFSAHF-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18O2/c1-11-8-12(2)16(15(18)9-11)14(10-17)13-6-4-3-5-7-13/h3-9,14,17-18H,10H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-[(1S)-2-hydroxy-1-phenylethyl]-3,5-dimethylphenol?
2-[(1S)-2-hydroxy-1-phenylethyl]-3,5-dimethylphenol has a molecular weight of 242.32 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2-hydroxy-1-phenylethyl]-3,5-dimethylphenol is sourced from PubChem (CID 23628862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).