(E)-1,3-bis(4-bromophenyl)prop-2-en-1-ol

C15H12Br2O — CID 24894592

IUPAC(E)-1,3-bis(4-bromophenyl)prop-2-en-1-ol
SMILESOC(/C=C/c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H12Br2O/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10,15,18H/b10-3+
InChIKeyCMLYYAXXJZNAIG-XCVCLJGOSA-N
MW368.07 g/mol
LogP4.96
Rot. Bonds3

About (E)-1,3-bis(4-bromophenyl)prop-2-en-1-ol

(E)-1,3-bis(4-bromophenyl)prop-2-en-1-ol (PubChem CID 24894592) has the molecular formula C15H12Br2O and a molecular weight of 368.07 g/mol. Its IUPAC name is (E)-1,3-bis(4-bromophenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-1,3-bis(4-bromophenyl)prop-2-en-1-ol
PubChem CID24894592
Molecular FormulaC15H12Br2O
Molecular Weight368.07 g/mol
Exact Mass365.93
IUPAC Name(E)-1,3-bis(4-bromophenyl)prop-2-en-1-ol
SMILESOC(/C=C/c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H12Br2O/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10,15,18H/b10-3+
InChIKeyCMLYYAXXJZNAIG-XCVCLJGOSA-N
XLogP4.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.07
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E,2R)-4-(4-bromophenyl)-1,1,1-trichlorobut-3-en-2-ol
CID 125476149
(1S)-1-(4-bromophenyl)prop-2-en-1-ol
CID 25140431
1-bromo-4-[(E)-3,3-difluoroprop-1-enyl]benzene
CID 125476010
(E,5S)-5-(4-bromophenyl)-5-hydroxypent-3-en-2-one
CID 124638004
1-bromo-4-[(Z)-3-[(Z)-3-(4-bromophenyl)-1-phenylprop-2-enyl]sulfanyl-3-phenylprop-1-enyl]benzene
CID 86588944
1-bromo-4-[(E)-3,3-diphenylprop-1-enyl]benzene
CID 132851009
1-bromo-4-(3-phenylbut-1-enyl)benzene
CID 162347455
(1R,2R)-1,2-bis(4-bromophenyl)ethane-1,2-diol
CID 11046931
4-(4-bromophenyl)-2-methyl-6-phenylhexa-2,5-dienoic acid
CID 67161057
1-bromo-4-[6-(4-bromophenyl)hexa-1,3,5-trienyl]benzene
CID 85439739
(E)-4-(4-chlorophenyl)but-3-en-2-ol
CID 11019514
(4-bromophenyl)-(4-chlorophenyl)methanol;ethane
CID 143569170

Frequently Asked Questions

What is the IUPAC name of (E)-1,3-bis(4-bromophenyl)prop-2-en-1-ol?
The IUPAC name of (E)-1,3-bis(4-bromophenyl)prop-2-en-1-ol (CID 24894592) is (E)-1,3-bis(4-bromophenyl)prop-2-en-1-ol.
What is the SMILES notation for (E)-1,3-bis(4-bromophenyl)prop-2-en-1-ol?
The canonical SMILES for (E)-1,3-bis(4-bromophenyl)prop-2-en-1-ol is OC(/C=C/c1ccc(Br)cc1)c1ccc(Br)cc1.
What is the InChIKey of (E)-1,3-bis(4-bromophenyl)prop-2-en-1-ol?
The InChIKey is CMLYYAXXJZNAIG-XCVCLJGOSA-N. The full InChI is InChI=1S/C15H12Br2O/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10,15,18H/b10-3+.
What are the key properties of (E)-1,3-bis(4-bromophenyl)prop-2-en-1-ol?
(E)-1,3-bis(4-bromophenyl)prop-2-en-1-ol has a molecular weight of 368.07 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,3-bis(4-bromophenyl)prop-2-en-1-ol is sourced from PubChem (CID 24894592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).