3-methyl-6-[(2-propan-2-ylphenyl)methyl]benzene-1,2-diol

C17H20O2 — CID 143192297

IUPAC3-methyl-6-[(2-propan-2-ylphenyl)methyl]benzene-1,2-diol
SMILESCc1ccc(Cc2ccccc2C(C)C)c(O)c1O
InChIInChI=1S/C17H20O2/c1-11(2)15-7-5-4-6-13(15)10-14-9-8-12(3)16(18)17(14)19/h4-9,11,18-19H,10H2,1-3H3
InChIKeyDRDDNFQODPRKSZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.12
Rot. Bonds3

About 3-methyl-6-[(2-propan-2-ylphenyl)methyl]benzene-1,2-diol

3-methyl-6-[(2-propan-2-ylphenyl)methyl]benzene-1,2-diol (PubChem CID 143192297) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-methyl-6-[(2-propan-2-ylphenyl)methyl]benzene-1,2-diol.

Molecular Properties

Compound Name3-methyl-6-[(2-propan-2-ylphenyl)methyl]benzene-1,2-diol
PubChem CID143192297
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Name3-methyl-6-[(2-propan-2-ylphenyl)methyl]benzene-1,2-diol
SMILESCc1ccc(Cc2ccccc2C(C)C)c(O)c1O
InChIInChI=1S/C17H20O2/c1-11(2)15-7-5-4-6-13(15)10-14-9-8-12(3)16(18)17(14)19/h4-9,11,18-19H,10H2,1-3H3
InChIKeyDRDDNFQODPRKSZ-UHFFFAOYSA-N
XLogP4.12
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.12
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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[(2-propan-2-ylphenyl)methyl]benzene-1,2-diol?
The IUPAC name of 3-methyl-6-[(2-propan-2-ylphenyl)methyl]benzene-1,2-diol (CID 143192297) is 3-methyl-6-[(2-propan-2-ylphenyl)methyl]benzene-1,2-diol.
What is the SMILES notation for 3-methyl-6-[(2-propan-2-ylphenyl)methyl]benzene-1,2-diol?
The canonical SMILES for 3-methyl-6-[(2-propan-2-ylphenyl)methyl]benzene-1,2-diol is Cc1ccc(Cc2ccccc2C(C)C)c(O)c1O.
What is the InChIKey of 3-methyl-6-[(2-propan-2-ylphenyl)methyl]benzene-1,2-diol?
The InChIKey is DRDDNFQODPRKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-11(2)15-7-5-4-6-13(15)10-14-9-8-12(3)16(18)17(14)19/h4-9,11,18-19H,10H2,1-3H3.
What are the key properties of 3-methyl-6-[(2-propan-2-ylphenyl)methyl]benzene-1,2-diol?
3-methyl-6-[(2-propan-2-ylphenyl)methyl]benzene-1,2-diol has a molecular weight of 256.35 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[(2-propan-2-ylphenyl)methyl]benzene-1,2-diol is sourced from PubChem (CID 143192297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).