2-(bromomethyl)-1,5-dichloro-3-phenylmethoxybenzene

C14H11BrCl2O — CID 14225535

IUPAC2-(bromomethyl)-1,5-dichloro-3-phenylmethoxybenzene
SMILESClc1cc(Cl)c(CBr)c(OCc2ccccc2)c1
InChIInChI=1S/C14H11BrCl2O/c15-8-12-13(17)6-11(16)7-14(12)18-9-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyXMASNRVAYNCKTN-UHFFFAOYSA-N
MW346.05 g/mol
LogP5.47
Rot. Bonds4

About 2-(bromomethyl)-1,5-dichloro-3-phenylmethoxybenzene

2-(bromomethyl)-1,5-dichloro-3-phenylmethoxybenzene (PubChem CID 14225535) has the molecular formula C14H11BrCl2O and a molecular weight of 346.05 g/mol. Its IUPAC name is 2-(bromomethyl)-1,5-dichloro-3-phenylmethoxybenzene.

Molecular Properties

Compound Name2-(bromomethyl)-1,5-dichloro-3-phenylmethoxybenzene
PubChem CID14225535
Molecular FormulaC14H11BrCl2O
Molecular Weight346.05 g/mol
Exact Mass343.94
IUPAC Name2-(bromomethyl)-1,5-dichloro-3-phenylmethoxybenzene
SMILESClc1cc(Cl)c(CBr)c(OCc2ccccc2)c1
InChIInChI=1S/C14H11BrCl2O/c15-8-12-13(17)6-11(16)7-14(12)18-9-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyXMASNRVAYNCKTN-UHFFFAOYSA-N
XLogP5.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.05
LogP ≤ 55.47
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

3-(2,4-dichloro-6-phenylmethoxyphenyl)propanal
CID 14225536
2-(bromomethyl)-4-chloro-1-phenylmethoxybenzene;ethane
CID 143249325
2-(bromomethyl)-1-chloro-3-[(4-methylphenyl)methoxy]benzene
CID 113277003
6-chloro-4-phenylmethoxy-1H-indole
CID 170993763
5-chloro-2-iodo-1-phenylmethoxy-3-(trifluoromethoxy)benzene
CID 170171554
1-chloro-4-fluoro-2-phenylmethoxybenzene
CID 91656120
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
5-chloro-3-phenylmethoxy-1H-pyridin-2-one
CID 70036977
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
5-chloro-7-phenylmethoxy-2,3-dihydro-1H-indole
CID 14849556
1,3-bis[[3,5-bis[(3,5-dichlorophenoxy)methyl]phenoxy]methyl]-5-phenylmethoxybenzene
CID 132525104
4-(bromomethyl)-1-iodo-2-phenylmethoxybenzene
CID 73333847

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1,5-dichloro-3-phenylmethoxybenzene?
The IUPAC name of 2-(bromomethyl)-1,5-dichloro-3-phenylmethoxybenzene (CID 14225535) is 2-(bromomethyl)-1,5-dichloro-3-phenylmethoxybenzene.
What is the SMILES notation for 2-(bromomethyl)-1,5-dichloro-3-phenylmethoxybenzene?
The canonical SMILES for 2-(bromomethyl)-1,5-dichloro-3-phenylmethoxybenzene is Clc1cc(Cl)c(CBr)c(OCc2ccccc2)c1.
What is the InChIKey of 2-(bromomethyl)-1,5-dichloro-3-phenylmethoxybenzene?
The InChIKey is XMASNRVAYNCKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2O/c15-8-12-13(17)6-11(16)7-14(12)18-9-10-4-2-1-3-5-10/h1-7H,8-9H2.
What are the key properties of 2-(bromomethyl)-1,5-dichloro-3-phenylmethoxybenzene?
2-(bromomethyl)-1,5-dichloro-3-phenylmethoxybenzene has a molecular weight of 346.05 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1,5-dichloro-3-phenylmethoxybenzene is sourced from PubChem (CID 14225535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).