1-(bromomethyl)-2-phenoxynaphthalene

C17H13BrO — CID 142635993

IUPAC1-(bromomethyl)-2-phenoxynaphthalene
SMILESBrCc1c(Oc2ccccc2)ccc2ccccc12
InChIInChI=1S/C17H13BrO/c18-12-16-15-9-5-4-6-13(15)10-11-17(16)19-14-7-2-1-3-8-14/h1-11H,12H2
InChIKeyOIIHBNIVKIUOOA-UHFFFAOYSA-N
MW313.19 g/mol
LogP5.53
Rot. Bonds3

About 1-(bromomethyl)-2-phenoxynaphthalene

1-(bromomethyl)-2-phenoxynaphthalene (PubChem CID 142635993) has the molecular formula C17H13BrO and a molecular weight of 313.19 g/mol. Its IUPAC name is 1-(bromomethyl)-2-phenoxynaphthalene.

Molecular Properties

Compound Name1-(bromomethyl)-2-phenoxynaphthalene
PubChem CID142635993
Molecular FormulaC17H13BrO
Molecular Weight313.19 g/mol
Exact Mass312.01
IUPAC Name1-(bromomethyl)-2-phenoxynaphthalene
SMILESBrCc1c(Oc2ccccc2)ccc2ccccc12
InChIInChI=1S/C17H13BrO/c18-12-16-15-9-5-4-6-13(15)10-11-17(16)19-14-7-2-1-3-8-14/h1-11H,12H2
InChIKeyOIIHBNIVKIUOOA-UHFFFAOYSA-N
XLogP5.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.19
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(bromomethyl)-2-(2-fluoroethoxy)naphthalene
CID 80696064
1-(bromomethyl)-2-hexoxynaphthalene
CID 43505804
2-phenoxy-1-phenylsulfanylnaphthalene
CID 134956285
1-(bromomethyl)-2-(2-methylsulfonylethoxy)naphthalene
CID 54915025
1-[(2-phenoxynaphthalen-1-yl)diazenyl]naphthalen-2-ol
CID 135514019
1-(bromomethyl)-2-(4-ethylcyclohexyl)oxynaphthalene
CID 64750095
1-phenoxynaphthalen-2-ol
CID 5271325
(1S)-1-[4-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine
CID 63532585
N-[(2-ethoxynaphthalen-1-yl)methyl]-4-phenoxyaniline
CID 126118729
ethane;methane;phenanthrene
CID 144939263
ethane;methane;phenanthrene
CID 144938954
anthracene;benzene;ethane;methane;naphthalene;phenanthrene
CID 165100434

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2-phenoxynaphthalene?
The IUPAC name of 1-(bromomethyl)-2-phenoxynaphthalene (CID 142635993) is 1-(bromomethyl)-2-phenoxynaphthalene.
What is the SMILES notation for 1-(bromomethyl)-2-phenoxynaphthalene?
The canonical SMILES for 1-(bromomethyl)-2-phenoxynaphthalene is BrCc1c(Oc2ccccc2)ccc2ccccc12.
What is the InChIKey of 1-(bromomethyl)-2-phenoxynaphthalene?
The InChIKey is OIIHBNIVKIUOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrO/c18-12-16-15-9-5-4-6-13(15)10-11-17(16)19-14-7-2-1-3-8-14/h1-11H,12H2.
What are the key properties of 1-(bromomethyl)-2-phenoxynaphthalene?
1-(bromomethyl)-2-phenoxynaphthalene has a molecular weight of 313.19 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2-phenoxynaphthalene is sourced from PubChem (CID 142635993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).