1-chloro-4-(phenoxymethyl)benzene

C13H11ClO — CID 29879

IUPAC1-chloro-4-(phenoxymethyl)benzene
SMILESClc1ccc(COc2ccccc2)cc1
InChIInChI=1S/C13H11ClO/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyLKFFIBFCNOEEAU-UHFFFAOYSA-N
MW218.68 g/mol
LogP3.92
Rot. Bonds3

About 1-chloro-4-(phenoxymethyl)benzene

1-chloro-4-(phenoxymethyl)benzene (PubChem CID 29879) has the molecular formula C13H11ClO and a molecular weight of 218.68 g/mol. Its IUPAC name is 1-chloro-4-(phenoxymethyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(phenoxymethyl)benzene
PubChem CID29879
Molecular FormulaC13H11ClO
Molecular Weight218.68 g/mol
Exact Mass218.05
IUPAC Name1-chloro-4-(phenoxymethyl)benzene
SMILESClc1ccc(COc2ccccc2)cc1
InChIInChI=1S/C13H11ClO/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyLKFFIBFCNOEEAU-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.68
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Chlorophenyl phenyl ether
CID 23436
Benzyl Phenyl Ether
CID 70352
4,4'-Dichlorodiphenyl ether
CID 17126
6-Chloro-2-(4-chlorophenyl)-3,4-dihydro-2H-1-benzopyran
CID 126331
2-(3'-Chlorobenzyloxy)phenylboronic acid
CID 16217683
Benzyl p-tolyl ether
CID 70036
3-Phenoxybenzyl chloride
CID 93291
4-Chloro-2-methylanisole
CID 76748
1-(4-Chlorobutoxy)-2-methylbenzene
CID 96477
Benzene, 1-chloro-4-(phenylmethoxy)-
CID 139062
3-Chlorodiphenyl ether
CID 94325
1,3-dichloro-5-[(1E)-2-(4-methoxyphenyl)ethenyl]-benzene
CID 10062125

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(phenoxymethyl)benzene?
The IUPAC name of 1-chloro-4-(phenoxymethyl)benzene (CID 29879) is 1-chloro-4-(phenoxymethyl)benzene.
What is the SMILES notation for 1-chloro-4-(phenoxymethyl)benzene?
The canonical SMILES for 1-chloro-4-(phenoxymethyl)benzene is Clc1ccc(COc2ccccc2)cc1.
What is the InChIKey of 1-chloro-4-(phenoxymethyl)benzene?
The InChIKey is LKFFIBFCNOEEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h1-9H,10H2.
What are the key properties of 1-chloro-4-(phenoxymethyl)benzene?
1-chloro-4-(phenoxymethyl)benzene has a molecular weight of 218.68 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(phenoxymethyl)benzene is sourced from PubChem (CID 29879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).