2-methyl-3-(4-propan-2-ylphenoxy)phenol

C16H18O2 — CID 91567072

IUPAC2-methyl-3-(4-propan-2-ylphenoxy)phenol
SMILESCc1c(O)cccc1Oc1ccc(C(C)C)cc1
InChIInChI=1S/C16H18O2/c1-11(2)13-7-9-14(10-8-13)18-16-6-4-5-15(17)12(16)3/h4-11,17H,1-3H3
InChIKeyBWEQWVBLRNLVMJ-UHFFFAOYSA-N
MW242.32 g/mol
LogP4.62
Rot. Bonds3

About 2-methyl-3-(4-propan-2-ylphenoxy)phenol

2-methyl-3-(4-propan-2-ylphenoxy)phenol (PubChem CID 91567072) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-methyl-3-(4-propan-2-ylphenoxy)phenol.

Molecular Properties

Compound Name2-methyl-3-(4-propan-2-ylphenoxy)phenol
PubChem CID91567072
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name2-methyl-3-(4-propan-2-ylphenoxy)phenol
SMILESCc1c(O)cccc1Oc1ccc(C(C)C)cc1
InChIInChI=1S/C16H18O2/c1-11(2)13-7-9-14(10-8-13)18-16-6-4-5-15(17)12(16)3/h4-11,17H,1-3H3
InChIKeyBWEQWVBLRNLVMJ-UHFFFAOYSA-N
XLogP4.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-pyridin-4-yloxyphenol
CID 60871245
3-[4-(2-hydroxy-N-(2-hydroxy-5-methylphenyl)-5-methylanilino)phenoxy]-2-methylphenol
CID 101332105
2-fluoro-6-(4-propan-2-ylphenoxy)benzonitrile
CID 79513583
1-[2-(4-propan-2-ylphenoxy)phenyl]propan-2-amine
CID 63817173
1-fluoro-2-nitro-3-(4-propan-2-ylphenoxy)benzene
CID 62662926
1-hydroperoxy-2,3-di(propan-2-yl)benzene;1-hydroperoxy-4-propan-2-ylbenzene
CID 87880961
(1S)-1-[2-(4-propan-2-ylphenoxy)phenyl]propan-1-amine
CID 103959232
3-methyl-4-(4-propan-2-ylphenoxy)pyridine
CID 121004835
4-methyl-3-(4-propan-2-ylphenoxy)aniline
CID 155433623
2-methyl-3-(1-propan-2-yloxyethoxy)phenol
CID 69410619
1-amino-4-hydroxy-2-(4-propan-2-ylphenoxy)anthracene-9,10-dione;ethane
CID 157277200
1,5-bis(4-methylphenoxy)naphthalene;methane
CID 159940982

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-propan-2-ylphenoxy)phenol?
The IUPAC name of 2-methyl-3-(4-propan-2-ylphenoxy)phenol (CID 91567072) is 2-methyl-3-(4-propan-2-ylphenoxy)phenol.
What is the SMILES notation for 2-methyl-3-(4-propan-2-ylphenoxy)phenol?
The canonical SMILES for 2-methyl-3-(4-propan-2-ylphenoxy)phenol is Cc1c(O)cccc1Oc1ccc(C(C)C)cc1.
What is the InChIKey of 2-methyl-3-(4-propan-2-ylphenoxy)phenol?
The InChIKey is BWEQWVBLRNLVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-11(2)13-7-9-14(10-8-13)18-16-6-4-5-15(17)12(16)3/h4-11,17H,1-3H3.
What are the key properties of 2-methyl-3-(4-propan-2-ylphenoxy)phenol?
2-methyl-3-(4-propan-2-ylphenoxy)phenol has a molecular weight of 242.32 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-propan-2-ylphenoxy)phenol is sourced from PubChem (CID 91567072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).