(2-bromo-4-methyl-3-propylphenyl)methanol

C11H15BrO — CID 142279408

IUPAC(2-bromo-4-methyl-3-propylphenyl)methanol
SMILESCCCc1c(C)ccc(CO)c1Br
InChIInChI=1S/C11H15BrO/c1-3-4-10-8(2)5-6-9(7-13)11(10)12/h5-6,13H,3-4,7H2,1-2H3
InChIKeyVJBAYPRBCKMCJG-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.20
Rot. Bonds3

About (2-bromo-4-methyl-3-propylphenyl)methanol

(2-bromo-4-methyl-3-propylphenyl)methanol (PubChem CID 142279408) has the molecular formula C11H15BrO and a molecular weight of 243.14 g/mol. Its IUPAC name is (2-bromo-4-methyl-3-propylphenyl)methanol.

Molecular Properties

Compound Name(2-bromo-4-methyl-3-propylphenyl)methanol
PubChem CID142279408
Molecular FormulaC11H15BrO
Molecular Weight243.14 g/mol
Exact Mass242.03
IUPAC Name(2-bromo-4-methyl-3-propylphenyl)methanol
SMILESCCCc1c(C)ccc(CO)c1Br
InChIInChI=1S/C11H15BrO/c1-3-4-10-8(2)5-6-9(7-13)11(10)12/h5-6,13H,3-4,7H2,1-2H3
InChIKeyVJBAYPRBCKMCJG-UHFFFAOYSA-N
XLogP3.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methyl-3-propylphenyl)methanol?
The IUPAC name of (2-bromo-4-methyl-3-propylphenyl)methanol (CID 142279408) is (2-bromo-4-methyl-3-propylphenyl)methanol.
What is the SMILES notation for (2-bromo-4-methyl-3-propylphenyl)methanol?
The canonical SMILES for (2-bromo-4-methyl-3-propylphenyl)methanol is CCCc1c(C)ccc(CO)c1Br.
What is the InChIKey of (2-bromo-4-methyl-3-propylphenyl)methanol?
The InChIKey is VJBAYPRBCKMCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO/c1-3-4-10-8(2)5-6-9(7-13)11(10)12/h5-6,13H,3-4,7H2,1-2H3.
What are the key properties of (2-bromo-4-methyl-3-propylphenyl)methanol?
(2-bromo-4-methyl-3-propylphenyl)methanol has a molecular weight of 243.14 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methyl-3-propylphenyl)methanol is sourced from PubChem (CID 142279408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).