(4-bromophenyl)-(4-prop-1-enoxyphenyl)methanone

C16H13BrO2 — CID 150566365

IUPAC(4-bromophenyl)-(4-prop-1-enoxyphenyl)methanone
SMILESCC=COc1ccc(C(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H13BrO2/c1-2-11-19-15-9-5-13(6-10-15)16(18)12-3-7-14(17)8-4-12/h2-11H,1H3
InChIKeyIKXKTUFFJMUDMF-UHFFFAOYSA-N
MW317.18 g/mol
LogP4.59
Rot. Bonds4

About (4-bromophenyl)-(4-prop-1-enoxyphenyl)methanone

(4-bromophenyl)-(4-prop-1-enoxyphenyl)methanone (PubChem CID 150566365) has the molecular formula C16H13BrO2 and a molecular weight of 317.18 g/mol. Its IUPAC name is (4-bromophenyl)-(4-prop-1-enoxyphenyl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(4-prop-1-enoxyphenyl)methanone
PubChem CID150566365
Molecular FormulaC16H13BrO2
Molecular Weight317.18 g/mol
Exact Mass316.01
IUPAC Name(4-bromophenyl)-(4-prop-1-enoxyphenyl)methanone
SMILESCC=COc1ccc(C(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H13BrO2/c1-2-11-19-15-9-5-13(6-10-15)16(18)12-3-7-14(17)8-4-12/h2-11H,1H3
InChIKeyIKXKTUFFJMUDMF-UHFFFAOYSA-N
XLogP4.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(4-bromophenyl)-(4-methoxyphenyl)methanone
CID 794333
[4-(4-bromobenzoyl)phenyl] prop-2-enoate
CID 67394017
(4-bromophenyl)-(4-phenoxyphenyl)methanone
CID 139928353
2-methylsulfinyl-1-(4-prop-1-enoxyphenyl)ethanone
CID 54189818
[4-[4-[(E)-but-2-enoyl]oxybenzoyl]phenyl] (E)-but-2-enoate
CID 6263942
(4-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 2756951
[4-[2-(4-bromophenoxy)ethoxy]phenyl]-phenylmethanone
CID 7717760
(4-bromophenyl)-(3-methoxyphenyl)methanone
CID 2757032
(2-bromo-4-methoxyphenyl)-(4-bromophenyl)methanone
CID 60786107
(4-bromophenyl)-(5-methylfuran-3-yl)methanone
CID 114819423
(4-bromophenyl)-(5-methoxy-2-pyridinyl)methanone
CID 170712986
1-ethoxy-4-[(Z)-prop-1-enoxy]benzene
CID 101144110

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(4-prop-1-enoxyphenyl)methanone?
The IUPAC name of (4-bromophenyl)-(4-prop-1-enoxyphenyl)methanone (CID 150566365) is (4-bromophenyl)-(4-prop-1-enoxyphenyl)methanone.
What is the SMILES notation for (4-bromophenyl)-(4-prop-1-enoxyphenyl)methanone?
The canonical SMILES for (4-bromophenyl)-(4-prop-1-enoxyphenyl)methanone is CC=COc1ccc(C(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of (4-bromophenyl)-(4-prop-1-enoxyphenyl)methanone?
The InChIKey is IKXKTUFFJMUDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrO2/c1-2-11-19-15-9-5-13(6-10-15)16(18)12-3-7-14(17)8-4-12/h2-11H,1H3.
What are the key properties of (4-bromophenyl)-(4-prop-1-enoxyphenyl)methanone?
(4-bromophenyl)-(4-prop-1-enoxyphenyl)methanone has a molecular weight of 317.18 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(4-prop-1-enoxyphenyl)methanone is sourced from PubChem (CID 150566365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).