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

C16H18O2 — CID 125479229

IUPAC4-[2-(4-methylphenyl)propan-2-yl]benzene-1,2-diol
SMILESCc1ccc(C(C)(C)c2ccc(O)c(O)c2)cc1
InChIInChI=1S/C16H18O2/c1-11-4-6-12(7-5-11)16(2,3)13-8-9-14(17)15(18)10-13/h4-10,17-18H,1-3H3
InChIKeyOXHQSAZGUWARAW-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.73
Rot. Bonds2

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

4-[2-(4-methylphenyl)propan-2-yl]benzene-1,2-diol (PubChem CID 125479229) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-[2-(4-methylphenyl)propan-2-yl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[2-(4-methylphenyl)propan-2-yl]benzene-1,2-diol
PubChem CID125479229
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name4-[2-(4-methylphenyl)propan-2-yl]benzene-1,2-diol
SMILESCc1ccc(C(C)(C)c2ccc(O)c(O)c2)cc1
InChIInChI=1S/C16H18O2/c1-11-4-6-12(7-5-11)16(2,3)13-8-9-14(17)15(18)10-13/h4-10,17-18H,1-3H3
InChIKeyOXHQSAZGUWARAW-UHFFFAOYSA-N
XLogP3.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenol
CID 58381771
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-[3-tert-butyl-5-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol
CID 144899041
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-methylphenol
CID 14389009
carbanide;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;yttrium
CID 169320278
1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene
CID 159818582
ethane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 145481867
1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 20734477
1-tert-butyl-4-methylbenzene
CID 163486601
4-[2-[3-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol
CID 23033100
4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2,6-dimethylphenol;4-[2-(4-hydroxyphenyl)propan-2-yl]-2,6-dimethylphenol
CID 67024119
2-iodo-1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 90144939

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylphenyl)propan-2-yl]benzene-1,2-diol?
The IUPAC name of 4-[2-(4-methylphenyl)propan-2-yl]benzene-1,2-diol (CID 125479229) is 4-[2-(4-methylphenyl)propan-2-yl]benzene-1,2-diol.
What is the SMILES notation for 4-[2-(4-methylphenyl)propan-2-yl]benzene-1,2-diol?
The canonical SMILES for 4-[2-(4-methylphenyl)propan-2-yl]benzene-1,2-diol is Cc1ccc(C(C)(C)c2ccc(O)c(O)c2)cc1.
What is the InChIKey of 4-[2-(4-methylphenyl)propan-2-yl]benzene-1,2-diol?
The InChIKey is OXHQSAZGUWARAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-11-4-6-12(7-5-11)16(2,3)13-8-9-14(17)15(18)10-13/h4-10,17-18H,1-3H3.
What are the key properties of 4-[2-(4-methylphenyl)propan-2-yl]benzene-1,2-diol?
4-[2-(4-methylphenyl)propan-2-yl]benzene-1,2-diol has a molecular weight of 242.32 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylphenyl)propan-2-yl]benzene-1,2-diol is sourced from PubChem (CID 125479229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).