2-methyl-6-(1-phenylpropyl)phenol

C16H18O — CID 123572881

IUPAC2-methyl-6-(1-phenylpropyl)phenol
SMILESCCC(c1ccccc1)c1cccc(C)c1O
InChIInChI=1S/C16H18O/c1-3-14(13-9-5-4-6-10-13)15-11-7-8-12(2)16(15)17/h4-11,14,17H,3H2,1-2H3
InChIKeyBPLAHHHNAUFTSE-UHFFFAOYSA-N
MW226.32 g/mol
LogP4.24
Rot. Bonds3

About 2-methyl-6-(1-phenylpropyl)phenol

2-methyl-6-(1-phenylpropyl)phenol (PubChem CID 123572881) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-methyl-6-(1-phenylpropyl)phenol.

Molecular Properties

Compound Name2-methyl-6-(1-phenylpropyl)phenol
PubChem CID123572881
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name2-methyl-6-(1-phenylpropyl)phenol
SMILESCCC(c1ccccc1)c1cccc(C)c1O
InChIInChI=1S/C16H18O/c1-3-14(13-9-5-4-6-10-13)15-11-7-8-12(2)16(15)17/h4-11,14,17H,3H2,1-2H3
InChIKeyBPLAHHHNAUFTSE-UHFFFAOYSA-N
XLogP4.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1-phenylpropyl)benzene-1,2-diol
CID 139729676
2-benzhydryl-6-methylphenol
CID 154120751
[(3S)-3-(2-hydroxy-3-methylphenyl)-3-phenylpropyl]-methyl-di(propan-2-yl)azanium
CID 20774440
2-hydroxy-3-[(1R)-1-phenylpropyl]benzaldehyde
CID 12066885
2-[(2-hydroxy-3-methylphenyl)-(2-hydroxyphenyl)methyl]-6-methylphenol
CID 141022269
2-[1-(2-hydroxy-3-methylphenyl)undecyl]-6-methylphenol
CID 135345596
4-[1-[4-hydroxy-3,5-bis(1-phenylpropyl)phenyl]ethyl]-2,6-bis(1-phenylpropyl)phenol
CID 71369615
2-[(1S)-1,2-diaminoethyl]-6-methylphenol;hydrochloride
CID 171212487
1-chloro-2-[(1S)-1-phenylpropyl]benzene
CID 126732807
2-methyl-6-(2-methylhexan-3-yl)phenol
CID 69129229
oxalic acid;1-phenylpropylbenzene
CID 67824543
chloromethane;ethyl 3-amino-3-(2-hydroxy-3-methylphenyl)propanoate
CID 142920722

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(1-phenylpropyl)phenol?
The IUPAC name of 2-methyl-6-(1-phenylpropyl)phenol (CID 123572881) is 2-methyl-6-(1-phenylpropyl)phenol.
What is the SMILES notation for 2-methyl-6-(1-phenylpropyl)phenol?
The canonical SMILES for 2-methyl-6-(1-phenylpropyl)phenol is CCC(c1ccccc1)c1cccc(C)c1O.
What is the InChIKey of 2-methyl-6-(1-phenylpropyl)phenol?
The InChIKey is BPLAHHHNAUFTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-3-14(13-9-5-4-6-10-13)15-11-7-8-12(2)16(15)17/h4-11,14,17H,3H2,1-2H3.
What are the key properties of 2-methyl-6-(1-phenylpropyl)phenol?
2-methyl-6-(1-phenylpropyl)phenol has a molecular weight of 226.32 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(1-phenylpropyl)phenol is sourced from PubChem (CID 123572881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).