3-(3,5-dibromo-2-propoxyphenyl)-2-methylprop-2-en-1-ol

C13H16Br2O2 — CID 79334797

IUPAC3-(3,5-dibromo-2-propoxyphenyl)-2-methylprop-2-en-1-ol
SMILESCCCOc1c(Br)cc(Br)cc1C=C(C)CO
InChIInChI=1S/C13H16Br2O2/c1-3-4-17-13-10(5-9(2)8-16)6-11(14)7-12(13)15/h5-7,16H,3-4,8H2,1-2H3
InChIKeyDHTKBRVHQAGTMN-UHFFFAOYSA-N
MW364.08 g/mol
LogP4.40
Rot. Bonds5

About 3-(3,5-dibromo-2-propoxyphenyl)-2-methylprop-2-en-1-ol

3-(3,5-dibromo-2-propoxyphenyl)-2-methylprop-2-en-1-ol (PubChem CID 79334797) has the molecular formula C13H16Br2O2 and a molecular weight of 364.08 g/mol. Its IUPAC name is 3-(3,5-dibromo-2-propoxyphenyl)-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name3-(3,5-dibromo-2-propoxyphenyl)-2-methylprop-2-en-1-ol
PubChem CID79334797
Molecular FormulaC13H16Br2O2
Molecular Weight364.08 g/mol
Exact Mass361.95
IUPAC Name3-(3,5-dibromo-2-propoxyphenyl)-2-methylprop-2-en-1-ol
SMILESCCCOc1c(Br)cc(Br)cc1C=C(C)CO
InChIInChI=1S/C13H16Br2O2/c1-3-4-17-13-10(5-9(2)8-16)6-11(14)7-12(13)15/h5-7,16H,3-4,8H2,1-2H3
InChIKeyDHTKBRVHQAGTMN-UHFFFAOYSA-N
XLogP4.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.08
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-en-1-ol
CID 79334570
3-(3,5-dibromo-2-methoxyphenyl)-2-methylprop-2-en-1-ol
CID 79335248
2-[(3,5-dibromo-2-propoxyphenyl)methylidene]butanal
CID 79335525
(Z)-4-(3,5-dibromo-2-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103092906
3,5-dibromo-2-propoxybenzaldehyde
CID 2167921
3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-en-1-amine
CID 79329832
3-(3,5-dibromo-2-ethoxyphenyl)-N,2-dimethylprop-2-en-1-amine
CID 79340569
1,5-dibromo-3-(2,2-dibromoethenyl)-2-ethoxybenzene
CID 130532004
3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-enal
CID 79331302
3-(3,5-dibromo-2-propoxyphenyl)-N-ethylprop-2-en-1-amine
CID 79348115
1,5-dibromo-3-[(E)-2-nitroethenyl]-2-propoxybenzene
CID 55017468
3-(3,5-dibromo-2-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 79330153

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dibromo-2-propoxyphenyl)-2-methylprop-2-en-1-ol?
The IUPAC name of 3-(3,5-dibromo-2-propoxyphenyl)-2-methylprop-2-en-1-ol (CID 79334797) is 3-(3,5-dibromo-2-propoxyphenyl)-2-methylprop-2-en-1-ol.
What is the SMILES notation for 3-(3,5-dibromo-2-propoxyphenyl)-2-methylprop-2-en-1-ol?
The canonical SMILES for 3-(3,5-dibromo-2-propoxyphenyl)-2-methylprop-2-en-1-ol is CCCOc1c(Br)cc(Br)cc1C=C(C)CO.
What is the InChIKey of 3-(3,5-dibromo-2-propoxyphenyl)-2-methylprop-2-en-1-ol?
The InChIKey is DHTKBRVHQAGTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2O2/c1-3-4-17-13-10(5-9(2)8-16)6-11(14)7-12(13)15/h5-7,16H,3-4,8H2,1-2H3.
What are the key properties of 3-(3,5-dibromo-2-propoxyphenyl)-2-methylprop-2-en-1-ol?
3-(3,5-dibromo-2-propoxyphenyl)-2-methylprop-2-en-1-ol has a molecular weight of 364.08 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dibromo-2-propoxyphenyl)-2-methylprop-2-en-1-ol is sourced from PubChem (CID 79334797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).