2,3-dibromo-1-(3-phenoxyphenyl)prop-2-en-1-ol

C15H12Br2O2 — CID 54102694

IUPAC2,3-dibromo-1-(3-phenoxyphenyl)prop-2-en-1-ol
SMILESOC(C(Br)=CBr)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H12Br2O2/c16-10-14(17)15(18)11-5-4-8-13(9-11)19-12-6-2-1-3-7-12/h1-10,15,18H
InChIKeyNBPNBHDGKXGKJQ-UHFFFAOYSA-N
MW384.07 g/mol
LogP5.14
Rot. Bonds4

About 2,3-dibromo-1-(3-phenoxyphenyl)prop-2-en-1-ol

2,3-dibromo-1-(3-phenoxyphenyl)prop-2-en-1-ol (PubChem CID 54102694) has the molecular formula C15H12Br2O2 and a molecular weight of 384.07 g/mol. Its IUPAC name is 2,3-dibromo-1-(3-phenoxyphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name2,3-dibromo-1-(3-phenoxyphenyl)prop-2-en-1-ol
PubChem CID54102694
Molecular FormulaC15H12Br2O2
Molecular Weight384.07 g/mol
Exact Mass381.92
IUPAC Name2,3-dibromo-1-(3-phenoxyphenyl)prop-2-en-1-ol
SMILESOC(C(Br)=CBr)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H12Br2O2/c16-10-14(17)15(18)11-5-4-8-13(9-11)19-12-6-2-1-3-7-12/h1-10,15,18H
InChIKeyNBPNBHDGKXGKJQ-UHFFFAOYSA-N
XLogP5.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.07
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(2R)-2-(3-phenoxyphenyl)propanal
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3-[[(3-bromophenyl)-(3-phenoxyphenyl)methyl]amino]-1,1,1-trifluoropropan-2-ol
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4-[1-[4-[3-(1-phenylpropyl)phenoxy]phenyl]propyl]phenol
CID 143290824
2-chloro-2-(3-phenoxyphenyl)acetamide
CID 55047576
CID 70231673
CID 70231673
(2R)-2-(3-phenoxyphenyl)-2-phenylacetonitrile
CID 129383217

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-1-(3-phenoxyphenyl)prop-2-en-1-ol?
The IUPAC name of 2,3-dibromo-1-(3-phenoxyphenyl)prop-2-en-1-ol (CID 54102694) is 2,3-dibromo-1-(3-phenoxyphenyl)prop-2-en-1-ol.
What is the SMILES notation for 2,3-dibromo-1-(3-phenoxyphenyl)prop-2-en-1-ol?
The canonical SMILES for 2,3-dibromo-1-(3-phenoxyphenyl)prop-2-en-1-ol is OC(C(Br)=CBr)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2,3-dibromo-1-(3-phenoxyphenyl)prop-2-en-1-ol?
The InChIKey is NBPNBHDGKXGKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2O2/c16-10-14(17)15(18)11-5-4-8-13(9-11)19-12-6-2-1-3-7-12/h1-10,15,18H.
What are the key properties of 2,3-dibromo-1-(3-phenoxyphenyl)prop-2-en-1-ol?
2,3-dibromo-1-(3-phenoxyphenyl)prop-2-en-1-ol has a molecular weight of 384.07 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-1-(3-phenoxyphenyl)prop-2-en-1-ol is sourced from PubChem (CID 54102694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).