(2-bromo-3-methylphenyl)-(3-propan-2-yloxyphenyl)methanol

C17H19BrO2 — CID 107985793

IUPAC(2-bromo-3-methylphenyl)-(3-propan-2-yloxyphenyl)methanol
SMILESCc1cccc(C(O)c2cccc(OC(C)C)c2)c1Br
InChIInChI=1S/C17H19BrO2/c1-11(2)20-14-8-5-7-13(10-14)17(19)15-9-4-6-12(3)16(15)18/h4-11,17,19H,1-3H3
InChIKeyZPCLVSRRSSDZJL-UHFFFAOYSA-N
MW335.24 g/mol
LogP4.63
Rot. Bonds4

About (2-bromo-3-methylphenyl)-(3-propan-2-yloxyphenyl)methanol

(2-bromo-3-methylphenyl)-(3-propan-2-yloxyphenyl)methanol (PubChem CID 107985793) has the molecular formula C17H19BrO2 and a molecular weight of 335.24 g/mol. Its IUPAC name is (2-bromo-3-methylphenyl)-(3-propan-2-yloxyphenyl)methanol.

Molecular Properties

Compound Name(2-bromo-3-methylphenyl)-(3-propan-2-yloxyphenyl)methanol
PubChem CID107985793
Molecular FormulaC17H19BrO2
Molecular Weight335.24 g/mol
Exact Mass334.06
IUPAC Name(2-bromo-3-methylphenyl)-(3-propan-2-yloxyphenyl)methanol
SMILESCc1cccc(C(O)c2cccc(OC(C)C)c2)c1Br
InChIInChI=1S/C17H19BrO2/c1-11(2)20-14-8-5-7-13(10-14)17(19)15-9-4-6-12(3)16(15)18/h4-11,17,19H,1-3H3
InChIKeyZPCLVSRRSSDZJL-UHFFFAOYSA-N
XLogP4.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dibromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanol
CID 81473774
(R)-(2-bromophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 97056028
(2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 107947698
(2-bromo-3-methylphenyl)-phenylmethanol
CID 107983305
(4-bromo-2-methoxyphenyl)-(3-propan-2-yloxyphenyl)methanol
CID 115824010
(2,5-dichlorothiophen-3-yl)-(3-propan-2-yloxyphenyl)methanol
CID 62919997
(1S)-1-(3-propan-2-yloxyphenyl)ethanol
CID 75358098
(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 105399544
(2-bromo-3-methylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 114024297
(2,5-difluorophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 62918976
(1,3-dimethylpyrazol-4-yl)-(3-propan-2-yloxyphenyl)methanol
CID 83091659
(3-chlorophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 63895368

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-methylphenyl)-(3-propan-2-yloxyphenyl)methanol?
The IUPAC name of (2-bromo-3-methylphenyl)-(3-propan-2-yloxyphenyl)methanol (CID 107985793) is (2-bromo-3-methylphenyl)-(3-propan-2-yloxyphenyl)methanol.
What is the SMILES notation for (2-bromo-3-methylphenyl)-(3-propan-2-yloxyphenyl)methanol?
The canonical SMILES for (2-bromo-3-methylphenyl)-(3-propan-2-yloxyphenyl)methanol is Cc1cccc(C(O)c2cccc(OC(C)C)c2)c1Br.
What is the InChIKey of (2-bromo-3-methylphenyl)-(3-propan-2-yloxyphenyl)methanol?
The InChIKey is ZPCLVSRRSSDZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO2/c1-11(2)20-14-8-5-7-13(10-14)17(19)15-9-4-6-12(3)16(15)18/h4-11,17,19H,1-3H3.
What are the key properties of (2-bromo-3-methylphenyl)-(3-propan-2-yloxyphenyl)methanol?
(2-bromo-3-methylphenyl)-(3-propan-2-yloxyphenyl)methanol has a molecular weight of 335.24 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-methylphenyl)-(3-propan-2-yloxyphenyl)methanol is sourced from PubChem (CID 107985793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).