2-bromo-7-[(E)-3-phenylprop-2-enoxy]naphthalene

C19H15BrO — CID 132821616

IUPAC2-bromo-7-[(E)-3-phenylprop-2-enoxy]naphthalene
SMILESBrc1ccc2ccc(OC/C=C/c3ccccc3)cc2c1
InChIInChI=1S/C19H15BrO/c20-18-10-8-16-9-11-19(14-17(16)13-18)21-12-4-7-15-5-2-1-3-6-15/h1-11,13-14H,12H2/b7-4+
InChIKeyRYYWDPFNTMQDTM-QPJJXVBHSA-N
MW339.23 g/mol
LogP5.69
Rot. Bonds4

About 2-bromo-7-[(E)-3-phenylprop-2-enoxy]naphthalene

2-bromo-7-[(E)-3-phenylprop-2-enoxy]naphthalene (PubChem CID 132821616) has the molecular formula C19H15BrO and a molecular weight of 339.23 g/mol. Its IUPAC name is 2-bromo-7-[(E)-3-phenylprop-2-enoxy]naphthalene.

Molecular Properties

Compound Name2-bromo-7-[(E)-3-phenylprop-2-enoxy]naphthalene
PubChem CID132821616
Molecular FormulaC19H15BrO
Molecular Weight339.23 g/mol
Exact Mass338.03
IUPAC Name2-bromo-7-[(E)-3-phenylprop-2-enoxy]naphthalene
SMILESBrc1ccc2ccc(OC/C=C/c3ccccc3)cc2c1
InChIInChI=1S/C19H15BrO/c20-18-10-8-16-9-11-19(14-17(16)13-18)21-12-4-7-15-5-2-1-3-6-15/h1-11,13-14H,12H2/b7-4+
InChIKeyRYYWDPFNTMQDTM-QPJJXVBHSA-N
XLogP5.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.23
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-6-phenylmethoxynaphthalene
CID 640595
3-(3-phenylprop-2-enoxy)benzaldehyde
CID 53409573
[3-[(E)-3-phenylprop-2-enoxy]phenyl]boronic acid
CID 43327904
1-methoxy-4-(3-phenoxyprop-1-enyl)benzene
CID 67215625
5-(3-phenylprop-2-enoxy)-1,3-benzodioxole
CID 54275545
4-bromo-2-nitro-1-[(E)-3-phenylprop-2-enoxy]benzene
CID 63462553
(1S)-1-[4-bromo-2-[(E)-3-phenylprop-2-enoxy]phenyl]ethanamine
CID 102947278
(1S)-1-[4-bromo-2-[(E)-3-phenylprop-2-enoxy]phenyl]ethanol
CID 102949116
2-bromo-7-ethoxynaphthalene
CID 22240149
4-naphthalen-2-yloxybut-2-en-1-amine
CID 77110191
3-phenyl-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one
CID 2062832
2-chloro-4-(3-phenylprop-2-enoxy)benzonitrile
CID 76981690

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-[(E)-3-phenylprop-2-enoxy]naphthalene?
The IUPAC name of 2-bromo-7-[(E)-3-phenylprop-2-enoxy]naphthalene (CID 132821616) is 2-bromo-7-[(E)-3-phenylprop-2-enoxy]naphthalene.
What is the SMILES notation for 2-bromo-7-[(E)-3-phenylprop-2-enoxy]naphthalene?
The canonical SMILES for 2-bromo-7-[(E)-3-phenylprop-2-enoxy]naphthalene is Brc1ccc2ccc(OC/C=C/c3ccccc3)cc2c1.
What is the InChIKey of 2-bromo-7-[(E)-3-phenylprop-2-enoxy]naphthalene?
The InChIKey is RYYWDPFNTMQDTM-QPJJXVBHSA-N. The full InChI is InChI=1S/C19H15BrO/c20-18-10-8-16-9-11-19(14-17(16)13-18)21-12-4-7-15-5-2-1-3-6-15/h1-11,13-14H,12H2/b7-4+.
What are the key properties of 2-bromo-7-[(E)-3-phenylprop-2-enoxy]naphthalene?
2-bromo-7-[(E)-3-phenylprop-2-enoxy]naphthalene has a molecular weight of 339.23 g/mol, XLogP of 5.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-[(E)-3-phenylprop-2-enoxy]naphthalene is sourced from PubChem (CID 132821616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).