2-(2-methylpropyl)benzene-1,3-diol

C10H14O2 — CID 10844788

IUPAC2-(2-methylpropyl)benzene-1,3-diol
SMILESCC(C)Cc1c(O)cccc1O
InChIInChI=1S/C10H14O2/c1-7(2)6-8-9(11)4-3-5-10(8)12/h3-5,7,11-12H,6H2,1-2H3
InChIKeyNMFPSEAPOIHACL-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.30
Rot. Bonds2

About 2-(2-methylpropyl)benzene-1,3-diol

2-(2-methylpropyl)benzene-1,3-diol (PubChem CID 10844788) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-(2-methylpropyl)benzene-1,3-diol.

Molecular Properties

Compound Name2-(2-methylpropyl)benzene-1,3-diol
PubChem CID10844788
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2-(2-methylpropyl)benzene-1,3-diol
SMILESCC(C)Cc1c(O)cccc1O
InChIInChI=1S/C10H14O2/c1-7(2)6-8-9(11)4-3-5-10(8)12/h3-5,7,11-12H,6H2,1-2H3
InChIKeyNMFPSEAPOIHACL-UHFFFAOYSA-N
XLogP2.30
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)benzene-1,3-diol?
The IUPAC name of 2-(2-methylpropyl)benzene-1,3-diol (CID 10844788) is 2-(2-methylpropyl)benzene-1,3-diol.
What is the SMILES notation for 2-(2-methylpropyl)benzene-1,3-diol?
The canonical SMILES for 2-(2-methylpropyl)benzene-1,3-diol is CC(C)Cc1c(O)cccc1O.
What is the InChIKey of 2-(2-methylpropyl)benzene-1,3-diol?
The InChIKey is NMFPSEAPOIHACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-7(2)6-8-9(11)4-3-5-10(8)12/h3-5,7,11-12H,6H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)benzene-1,3-diol?
2-(2-methylpropyl)benzene-1,3-diol has a molecular weight of 166.22 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)benzene-1,3-diol is sourced from PubChem (CID 10844788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).