(2,5-dibromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanol

C17H18Br2O2 — CID 81473774

IUPAC(2,5-dibromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanol
SMILESCc1cc(Br)c(C(O)c2cccc(OC(C)C)c2)cc1Br
InChIInChI=1S/C17H18Br2O2/c1-10(2)21-13-6-4-5-12(8-13)17(20)14-9-15(18)11(3)7-16(14)19/h4-10,17,20H,1-3H3
InChIKeyXHRWCMDZNFJBHJ-UHFFFAOYSA-N
MW414.14 g/mol
LogP5.39
Rot. Bonds4

About (2,5-dibromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanol

(2,5-dibromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanol (PubChem CID 81473774) has the molecular formula C17H18Br2O2 and a molecular weight of 414.14 g/mol. Its IUPAC name is (2,5-dibromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanol.

Molecular Properties

Compound Name(2,5-dibromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanol
PubChem CID81473774
Molecular FormulaC17H18Br2O2
Molecular Weight414.14 g/mol
Exact Mass411.97
IUPAC Name(2,5-dibromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanol
SMILESCc1cc(Br)c(C(O)c2cccc(OC(C)C)c2)cc1Br
InChIInChI=1S/C17H18Br2O2/c1-10(2)21-13-6-4-5-12(8-13)17(20)14-9-15(18)11(3)7-16(14)19/h4-10,17,20H,1-3H3
InChIKeyXHRWCMDZNFJBHJ-UHFFFAOYSA-N
XLogP5.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.14
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-3-methylphenyl)-(3-propan-2-yloxyphenyl)methanol
CID 107985793
(2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 107947698
(R)-(2-bromophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 97056028
(5-bromo-2-methoxy-4-methylphenyl)-(3-methoxyphenyl)methanol
CID 65432396
(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 105399544
(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
(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
(5-methylfuran-2-yl)-(3-propan-2-yloxyphenyl)methanol
CID 79020840

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanol?
The IUPAC name of (2,5-dibromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanol (CID 81473774) is (2,5-dibromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanol.
What is the SMILES notation for (2,5-dibromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanol?
The canonical SMILES for (2,5-dibromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanol is Cc1cc(Br)c(C(O)c2cccc(OC(C)C)c2)cc1Br.
What is the InChIKey of (2,5-dibromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanol?
The InChIKey is XHRWCMDZNFJBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Br2O2/c1-10(2)21-13-6-4-5-12(8-13)17(20)14-9-15(18)11(3)7-16(14)19/h4-10,17,20H,1-3H3.
What are the key properties of (2,5-dibromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanol?
(2,5-dibromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanol has a molecular weight of 414.14 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanol is sourced from PubChem (CID 81473774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).