1-chloro-3-[4-(ethoxymethyl)phenyl]benzene

C15H15ClO — CID 3066124

IUPAC1-chloro-3-[4-(ethoxymethyl)phenyl]benzene
SMILESCCOCc1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C15H15ClO/c1-2-17-11-12-6-8-13(9-7-12)14-4-3-5-15(16)10-14/h3-10H,2,11H2,1H3
InChIKeyUUPPWGJCLZBUPO-UHFFFAOYSA-N
MW246.74 g/mol
LogP4.54
Rot. Bonds4

About 1-chloro-3-[4-(ethoxymethyl)phenyl]benzene

1-chloro-3-[4-(ethoxymethyl)phenyl]benzene (PubChem CID 3066124) has the molecular formula C15H15ClO and a molecular weight of 246.74 g/mol. Its IUPAC name is 1-chloro-3-[4-(ethoxymethyl)phenyl]benzene.

Molecular Properties

Compound Name1-chloro-3-[4-(ethoxymethyl)phenyl]benzene
PubChem CID3066124
Molecular FormulaC15H15ClO
Molecular Weight246.74 g/mol
Exact Mass246.08
IUPAC Name1-chloro-3-[4-(ethoxymethyl)phenyl]benzene
SMILESCCOCc1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C15H15ClO/c1-2-17-11-12-6-8-13(9-7-12)14-4-3-5-15(16)10-14/h3-10H,2,11H2,1H3
InChIKeyUUPPWGJCLZBUPO-UHFFFAOYSA-N
XLogP4.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[4-(ethoxymethyl)phenyl]benzene?
The IUPAC name of 1-chloro-3-[4-(ethoxymethyl)phenyl]benzene (CID 3066124) is 1-chloro-3-[4-(ethoxymethyl)phenyl]benzene.
What is the SMILES notation for 1-chloro-3-[4-(ethoxymethyl)phenyl]benzene?
The canonical SMILES for 1-chloro-3-[4-(ethoxymethyl)phenyl]benzene is CCOCc1ccc(-c2cccc(Cl)c2)cc1.
What is the InChIKey of 1-chloro-3-[4-(ethoxymethyl)phenyl]benzene?
The InChIKey is UUPPWGJCLZBUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO/c1-2-17-11-12-6-8-13(9-7-12)14-4-3-5-15(16)10-14/h3-10H,2,11H2,1H3.
What are the key properties of 1-chloro-3-[4-(ethoxymethyl)phenyl]benzene?
1-chloro-3-[4-(ethoxymethyl)phenyl]benzene has a molecular weight of 246.74 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[4-(ethoxymethyl)phenyl]benzene is sourced from PubChem (CID 3066124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).