3,5-dibromo-1-[2-(3,5-dibromo-1-hydroxycyclohexa-2,4-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol

C15H16Br4O2 — CID 69226459

IUPAC3,5-dibromo-1-[2-(3,5-dibromo-1-hydroxycyclohexa-2,4-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol
SMILESCC(C)(C1(O)C=C(Br)C=C(Br)C1)C1(O)C=C(Br)C=C(Br)C1
InChIInChI=1S/C15H16Br4O2/c1-13(2,14(20)5-9(16)3-10(17)6-14)15(21)7-11(18)4-12(19)8-15/h3-5,7,20-21H,6,8H2,1-2H3
InChIKeyCWHRSUUGZUCPEQ-UHFFFAOYSA-N
MW547.91 g/mol
LogP5.40
Rot. Bonds2

About 3,5-dibromo-1-[2-(3,5-dibromo-1-hydroxycyclohexa-2,4-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol

3,5-dibromo-1-[2-(3,5-dibromo-1-hydroxycyclohexa-2,4-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol (PubChem CID 69226459) has the molecular formula C15H16Br4O2 and a molecular weight of 547.91 g/mol. Its IUPAC name is 3,5-dibromo-1-[2-(3,5-dibromo-1-hydroxycyclohexa-2,4-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name3,5-dibromo-1-[2-(3,5-dibromo-1-hydroxycyclohexa-2,4-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol
PubChem CID69226459
Molecular FormulaC15H16Br4O2
Molecular Weight547.91 g/mol
Exact Mass543.79
IUPAC Name3,5-dibromo-1-[2-(3,5-dibromo-1-hydroxycyclohexa-2,4-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol
SMILESCC(C)(C1(O)C=C(Br)C=C(Br)C1)C1(O)C=C(Br)C=C(Br)C1
InChIInChI=1S/C15H16Br4O2/c1-13(2,14(20)5-9(16)3-10(17)6-14)15(21)7-11(18)4-12(19)8-15/h3-5,7,20-21H,6,8H2,1-2H3
InChIKeyCWHRSUUGZUCPEQ-UHFFFAOYSA-N
XLogP5.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.91
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,5-dibromo-1-[2-(3,5-dibromo-1-hydroxycyclohexa-2,4-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-1-[2-(3,5-dibromo-1-hydroxycyclohexa-2,4-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol?
The IUPAC name of 3,5-dibromo-1-[2-(3,5-dibromo-1-hydroxycyclohexa-2,4-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol (CID 69226459) is 3,5-dibromo-1-[2-(3,5-dibromo-1-hydroxycyclohexa-2,4-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 3,5-dibromo-1-[2-(3,5-dibromo-1-hydroxycyclohexa-2,4-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 3,5-dibromo-1-[2-(3,5-dibromo-1-hydroxycyclohexa-2,4-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol is CC(C)(C1(O)C=C(Br)C=C(Br)C1)C1(O)C=C(Br)C=C(Br)C1.
What is the InChIKey of 3,5-dibromo-1-[2-(3,5-dibromo-1-hydroxycyclohexa-2,4-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol?
The InChIKey is CWHRSUUGZUCPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br4O2/c1-13(2,14(20)5-9(16)3-10(17)6-14)15(21)7-11(18)4-12(19)8-15/h3-5,7,20-21H,6,8H2,1-2H3.
What are the key properties of 3,5-dibromo-1-[2-(3,5-dibromo-1-hydroxycyclohexa-2,4-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol?
3,5-dibromo-1-[2-(3,5-dibromo-1-hydroxycyclohexa-2,4-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol has a molecular weight of 547.91 g/mol, XLogP of 5.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-1-[2-(3,5-dibromo-1-hydroxycyclohexa-2,4-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 69226459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).