1-chloro-2-[4-(methoxymethyl)phenyl]benzene

C14H13ClO — CID 3066107

IUPAC1-chloro-2-[4-(methoxymethyl)phenyl]benzene
SMILESCOCc1ccc(-c2ccccc2Cl)cc1
InChIInChI=1S/C14H13ClO/c1-16-10-11-6-8-12(9-7-11)13-4-2-3-5-14(13)15/h2-9H,10H2,1H3
InChIKeyIVJFMDRPPCDFCM-UHFFFAOYSA-N
MW232.71 g/mol
LogP4.15
Rot. Bonds3

About 1-chloro-2-[4-(methoxymethyl)phenyl]benzene

1-chloro-2-[4-(methoxymethyl)phenyl]benzene (PubChem CID 3066107) has the molecular formula C14H13ClO and a molecular weight of 232.71 g/mol. Its IUPAC name is 1-chloro-2-[4-(methoxymethyl)phenyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[4-(methoxymethyl)phenyl]benzene
PubChem CID3066107
Molecular FormulaC14H13ClO
Molecular Weight232.71 g/mol
Exact Mass232.07
IUPAC Name1-chloro-2-[4-(methoxymethyl)phenyl]benzene
SMILESCOCc1ccc(-c2ccccc2Cl)cc1
InChIInChI=1S/C14H13ClO/c1-16-10-11-6-8-12(9-7-11)13-4-2-3-5-14(13)15/h2-9H,10H2,1H3
InChIKeyIVJFMDRPPCDFCM-UHFFFAOYSA-N
XLogP4.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Ether, bis(2,6-dichlorobenzyl)
CID 52735
Bis(p-chlorobenzyl) ether
CID 41869
2-(2-Chlorophenyl)oxirane
CID 560709
(2R)-2-(2-chlorophenyl)oxirane
CID 12035191
(2S)-2-(2-chlorophenyl)oxirane
CID 12561900
1-(3-Chloro-1-methoxypropyl)-4-methylbenzene
CID 97994
1,3-Dichloro-2-(methoxymethyl)benzene
CID 118490
2-(4-Chlorophenyl)-2-methyloxirane
CID 160587
4-Chlorostilbene oxide
CID 608511
2'-Chloro-alpha,alpha-dimethyl(1,1'-biphenyl)-4-methanol
CID 147118
1,1'-Biphenyl, 2-chloro-4'-(ethoxymethyl)-
CID 3066108
1,1'-Biphenyl, 4'-(butoxymethyl)-2-chloro-
CID 3066109

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[4-(methoxymethyl)phenyl]benzene?
The IUPAC name of 1-chloro-2-[4-(methoxymethyl)phenyl]benzene (CID 3066107) is 1-chloro-2-[4-(methoxymethyl)phenyl]benzene.
What is the SMILES notation for 1-chloro-2-[4-(methoxymethyl)phenyl]benzene?
The canonical SMILES for 1-chloro-2-[4-(methoxymethyl)phenyl]benzene is COCc1ccc(-c2ccccc2Cl)cc1.
What is the InChIKey of 1-chloro-2-[4-(methoxymethyl)phenyl]benzene?
The InChIKey is IVJFMDRPPCDFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO/c1-16-10-11-6-8-12(9-7-11)13-4-2-3-5-14(13)15/h2-9H,10H2,1H3.
What are the key properties of 1-chloro-2-[4-(methoxymethyl)phenyl]benzene?
1-chloro-2-[4-(methoxymethyl)phenyl]benzene has a molecular weight of 232.71 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[4-(methoxymethyl)phenyl]benzene is sourced from PubChem (CID 3066107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).