2-methoxy-4-methyl-5-(2-phenylpropan-2-yl)benzene-1,3-diol

C17H20O3 — CID 88637730

IUPAC2-methoxy-4-methyl-5-(2-phenylpropan-2-yl)benzene-1,3-diol
SMILESCOc1c(O)cc(C(C)(C)c2ccccc2)c(C)c1O
InChIInChI=1S/C17H20O3/c1-11-13(10-14(18)16(20-4)15(11)19)17(2,3)12-8-6-5-7-9-12/h5-10,18-19H,1-4H3
InChIKeyICHYVMLWHYIZGW-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.74
Rot. Bonds3

About 2-methoxy-4-methyl-5-(2-phenylpropan-2-yl)benzene-1,3-diol

2-methoxy-4-methyl-5-(2-phenylpropan-2-yl)benzene-1,3-diol (PubChem CID 88637730) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-methoxy-4-methyl-5-(2-phenylpropan-2-yl)benzene-1,3-diol.

Molecular Properties

Compound Name2-methoxy-4-methyl-5-(2-phenylpropan-2-yl)benzene-1,3-diol
PubChem CID88637730
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name2-methoxy-4-methyl-5-(2-phenylpropan-2-yl)benzene-1,3-diol
SMILESCOc1c(O)cc(C(C)(C)c2ccccc2)c(C)c1O
InChIInChI=1S/C17H20O3/c1-11-13(10-14(18)16(20-4)15(11)19)17(2,3)12-8-6-5-7-9-12/h5-10,18-19H,1-4H3
InChIKeyICHYVMLWHYIZGW-UHFFFAOYSA-N
XLogP3.74
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-5-(2-phenylpropan-2-yl)benzene-1,3-diol?
The IUPAC name of 2-methoxy-4-methyl-5-(2-phenylpropan-2-yl)benzene-1,3-diol (CID 88637730) is 2-methoxy-4-methyl-5-(2-phenylpropan-2-yl)benzene-1,3-diol.
What is the SMILES notation for 2-methoxy-4-methyl-5-(2-phenylpropan-2-yl)benzene-1,3-diol?
The canonical SMILES for 2-methoxy-4-methyl-5-(2-phenylpropan-2-yl)benzene-1,3-diol is COc1c(O)cc(C(C)(C)c2ccccc2)c(C)c1O.
What is the InChIKey of 2-methoxy-4-methyl-5-(2-phenylpropan-2-yl)benzene-1,3-diol?
The InChIKey is ICHYVMLWHYIZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c1-11-13(10-14(18)16(20-4)15(11)19)17(2,3)12-8-6-5-7-9-12/h5-10,18-19H,1-4H3.
What are the key properties of 2-methoxy-4-methyl-5-(2-phenylpropan-2-yl)benzene-1,3-diol?
2-methoxy-4-methyl-5-(2-phenylpropan-2-yl)benzene-1,3-diol has a molecular weight of 272.34 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-5-(2-phenylpropan-2-yl)benzene-1,3-diol is sourced from PubChem (CID 88637730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).