4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]benzene-1,3-diol

C16H18O3 — CID 139838635

IUPAC4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]benzene-1,3-diol
SMILESCc1cc(C(C)(C)c2ccc(O)cc2O)ccc1O
InChIInChI=1S/C16H18O3/c1-10-8-11(4-7-14(10)18)16(2,3)13-6-5-12(17)9-15(13)19/h4-9,17-19H,1-3H3
InChIKeyXIFASUOANALQBV-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.44
Rot. Bonds2

About 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]benzene-1,3-diol

4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]benzene-1,3-diol (PubChem CID 139838635) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]benzene-1,3-diol
PubChem CID139838635
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]benzene-1,3-diol
SMILESCc1cc(C(C)(C)c2ccc(O)cc2O)ccc1O
InChIInChI=1S/C16H18O3/c1-10-8-11(4-7-14(10)18)16(2,3)13-6-5-12(17)9-15(13)19/h4-9,17-19H,1-3H3
InChIKeyXIFASUOANALQBV-UHFFFAOYSA-N
XLogP3.44
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol
CID 130296994
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-methylphenol
CID 14389009
4-[1-(4-hydroxy-3-methylphenyl)-1-phenylethyl]benzene-1,3-diol
CID 139838653
carbanide;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;yttrium
CID 169320278
4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2,6-dimethylphenol;4-[2-(4-hydroxyphenyl)propan-2-yl]-2,6-dimethylphenol
CID 67024119
4-[2-[3-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol
CID 23033100
4-[2-[3-tert-butyl-5-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol
CID 144899041
4-[1-(4-hydroxy-3-methylphenyl)-1-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]ethyl]-2-methylphenol
CID 22392546
4-[2-(4-hydroxy-2-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol
CID 58904157
2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
CID 141474948
3-methyl-4-[2-[4-[tris[4-[2-(4-hydroxy-2-methylphenyl)propan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenol
CID 153325038
4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
CID 159058899

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]benzene-1,3-diol?
The IUPAC name of 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]benzene-1,3-diol (CID 139838635) is 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]benzene-1,3-diol?
The canonical SMILES for 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]benzene-1,3-diol is Cc1cc(C(C)(C)c2ccc(O)cc2O)ccc1O.
What is the InChIKey of 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]benzene-1,3-diol?
The InChIKey is XIFASUOANALQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-10-8-11(4-7-14(10)18)16(2,3)13-6-5-12(17)9-15(13)19/h4-9,17-19H,1-3H3.
What are the key properties of 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]benzene-1,3-diol?
4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]benzene-1,3-diol has a molecular weight of 258.32 g/mol, XLogP of 3.44, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]benzene-1,3-diol is sourced from PubChem (CID 139838635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).