4-[(4-hydroxy-3-propan-2-ylphenyl)methoxy]-3,5-dimethylphenol

C18H22O3 — CID 174513333

IUPAC4-[(4-hydroxy-3-propan-2-ylphenyl)methoxy]-3,5-dimethylphenol
SMILESCc1cc(O)cc(C)c1OCc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C18H22O3/c1-11(2)16-9-14(5-6-17(16)20)10-21-18-12(3)7-15(19)8-13(18)4/h5-9,11,19-20H,10H2,1-4H3
InChIKeyHLCQTNVHFWQCCL-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.42
Rot. Bonds4

About 4-[(4-hydroxy-3-propan-2-ylphenyl)methoxy]-3,5-dimethylphenol

4-[(4-hydroxy-3-propan-2-ylphenyl)methoxy]-3,5-dimethylphenol (PubChem CID 174513333) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-[(4-hydroxy-3-propan-2-ylphenyl)methoxy]-3,5-dimethylphenol.

Molecular Properties

Compound Name4-[(4-hydroxy-3-propan-2-ylphenyl)methoxy]-3,5-dimethylphenol
PubChem CID174513333
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name4-[(4-hydroxy-3-propan-2-ylphenyl)methoxy]-3,5-dimethylphenol
SMILESCc1cc(O)cc(C)c1OCc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C18H22O3/c1-11(2)16-9-14(5-6-17(16)20)10-21-18-12(3)7-15(19)8-13(18)4/h5-9,11,19-20H,10H2,1-4H3
InChIKeyHLCQTNVHFWQCCL-UHFFFAOYSA-N
XLogP4.42
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenol
CID 25150421
1,3-dimethyl-2-phenylmethoxy-5-propan-2-ylbenzene
CID 59709239
4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenol
CID 123302846
ethane;2-propan-2-ylbenzene-1,4-diol
CID 142526046
4-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol
CID 67041844
4-(2,6-dimethylphenoxy)-2-propan-2-ylphenol
CID 90980737
ethane;[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]methylphosphonic acid
CID 143340233
2-[(1R)-1-aminoethyl]-4-(methoxymethyl)phenol
CID 55262532
[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl] dihydrogen phosphate
CID 67041718
4-[[4-(dichlorophosphorylmethoxy)-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol
CID 162464815
1-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]butan-2-one
CID 159245963
propyl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetate
CID 122498822

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-3-propan-2-ylphenyl)methoxy]-3,5-dimethylphenol?
The IUPAC name of 4-[(4-hydroxy-3-propan-2-ylphenyl)methoxy]-3,5-dimethylphenol (CID 174513333) is 4-[(4-hydroxy-3-propan-2-ylphenyl)methoxy]-3,5-dimethylphenol.
What is the SMILES notation for 4-[(4-hydroxy-3-propan-2-ylphenyl)methoxy]-3,5-dimethylphenol?
The canonical SMILES for 4-[(4-hydroxy-3-propan-2-ylphenyl)methoxy]-3,5-dimethylphenol is Cc1cc(O)cc(C)c1OCc1ccc(O)c(C(C)C)c1.
What is the InChIKey of 4-[(4-hydroxy-3-propan-2-ylphenyl)methoxy]-3,5-dimethylphenol?
The InChIKey is HLCQTNVHFWQCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-11(2)16-9-14(5-6-17(16)20)10-21-18-12(3)7-15(19)8-13(18)4/h5-9,11,19-20H,10H2,1-4H3.
What are the key properties of 4-[(4-hydroxy-3-propan-2-ylphenyl)methoxy]-3,5-dimethylphenol?
4-[(4-hydroxy-3-propan-2-ylphenyl)methoxy]-3,5-dimethylphenol has a molecular weight of 286.37 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-3-propan-2-ylphenyl)methoxy]-3,5-dimethylphenol is sourced from PubChem (CID 174513333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).