(5-bromo-2-methoxy-4-propan-2-ylphenyl)methanol

C11H15BrO2 — CID 84709781

IUPAC(5-bromo-2-methoxy-4-propan-2-ylphenyl)methanol
SMILESCOc1cc(C(C)C)c(Br)cc1CO
InChIInChI=1S/C11H15BrO2/c1-7(2)9-5-11(14-3)8(6-13)4-10(9)12/h4-5,7,13H,6H2,1-3H3
InChIKeyBTFGOBFZKOQERN-UHFFFAOYSA-N
MW259.14 g/mol
LogP3.07
Rot. Bonds3

About (5-bromo-2-methoxy-4-propan-2-ylphenyl)methanol

(5-bromo-2-methoxy-4-propan-2-ylphenyl)methanol (PubChem CID 84709781) has the molecular formula C11H15BrO2 and a molecular weight of 259.14 g/mol. Its IUPAC name is (5-bromo-2-methoxy-4-propan-2-ylphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-methoxy-4-propan-2-ylphenyl)methanol
PubChem CID84709781
Molecular FormulaC11H15BrO2
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name(5-bromo-2-methoxy-4-propan-2-ylphenyl)methanol
SMILESCOc1cc(C(C)C)c(Br)cc1CO
InChIInChI=1S/C11H15BrO2/c1-7(2)9-5-11(14-3)8(6-13)4-10(9)12/h4-5,7,13H,6H2,1-3H3
InChIKeyBTFGOBFZKOQERN-UHFFFAOYSA-N
XLogP3.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-methoxy-4-propan-2-ylphenyl)methanamine
CID 84709439
1-(5-bromo-2-methoxy-4-propan-2-ylphenyl)propan-2-one
CID 117459128
(4,5-dibromo-2-methoxyphenyl)methanol
CID 118601977
1-(5-bromo-2-methoxy-4-propan-2-ylphenyl)-N-methoxymethanamine
CID 117465379
2-(5-bromo-2-methoxy-4-propan-2-ylphenyl)propan-1-amine
CID 117461435
1-(2-bromo-4,5-dimethoxyphenyl)ethanol
CID 12605921
1-bromo-2-(1-bromoethyl)-4,5-dimethoxybenzene
CID 61096538
4-bromo-5-(hydroxymethyl)-2-methoxyphenol
CID 637415
(2-bromo-5-ethoxy-4-methoxyphenyl)methanol
CID 893488
(2S)-2-amino-2-(2-bromo-4,5-dimethoxyphenyl)ethanol;hydrochloride
CID 171198902
4-bromo-2-(3-hydroxypropyl)-5-propan-2-ylphenol
CID 117435110
(2R)-2-amino-2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]ethanol
CID 66515094

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxy-4-propan-2-ylphenyl)methanol?
The IUPAC name of (5-bromo-2-methoxy-4-propan-2-ylphenyl)methanol (CID 84709781) is (5-bromo-2-methoxy-4-propan-2-ylphenyl)methanol.
What is the SMILES notation for (5-bromo-2-methoxy-4-propan-2-ylphenyl)methanol?
The canonical SMILES for (5-bromo-2-methoxy-4-propan-2-ylphenyl)methanol is COc1cc(C(C)C)c(Br)cc1CO.
What is the InChIKey of (5-bromo-2-methoxy-4-propan-2-ylphenyl)methanol?
The InChIKey is BTFGOBFZKOQERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO2/c1-7(2)9-5-11(14-3)8(6-13)4-10(9)12/h4-5,7,13H,6H2,1-3H3.
What are the key properties of (5-bromo-2-methoxy-4-propan-2-ylphenyl)methanol?
(5-bromo-2-methoxy-4-propan-2-ylphenyl)methanol has a molecular weight of 259.14 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxy-4-propan-2-ylphenyl)methanol is sourced from PubChem (CID 84709781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).