1-chloro-2-[[4-(cyclopropylmethyl)phenoxy]methyl]benzene

C17H17ClO — CID 6482557

IUPAC1-chloro-2-[[4-(cyclopropylmethyl)phenoxy]methyl]benzene
SMILESClc1ccccc1COc1ccc(CC2CC2)cc1
InChIInChI=1S/C17H17ClO/c18-17-4-2-1-3-15(17)12-19-16-9-7-14(8-10-16)11-13-5-6-13/h1-4,7-10,13H,5-6,11-12H2
InChIKeyRSBYUZWLKDIHJF-UHFFFAOYSA-N
MW272.78 g/mol
LogP4.87
Rot. Bonds5

About 1-chloro-2-[[4-(cyclopropylmethyl)phenoxy]methyl]benzene

1-chloro-2-[[4-(cyclopropylmethyl)phenoxy]methyl]benzene (PubChem CID 6482557) has the molecular formula C17H17ClO and a molecular weight of 272.78 g/mol. Its IUPAC name is 1-chloro-2-[[4-(cyclopropylmethyl)phenoxy]methyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[[4-(cyclopropylmethyl)phenoxy]methyl]benzene
PubChem CID6482557
Molecular FormulaC17H17ClO
Molecular Weight272.78 g/mol
Exact Mass272.10
IUPAC Name1-chloro-2-[[4-(cyclopropylmethyl)phenoxy]methyl]benzene
SMILESClc1ccccc1COc1ccc(CC2CC2)cc1
InChIInChI=1S/C17H17ClO/c18-17-4-2-1-3-15(17)12-19-16-9-7-14(8-10-16)11-13-5-6-13/h1-4,7-10,13H,5-6,11-12H2
InChIKeyRSBYUZWLKDIHJF-UHFFFAOYSA-N
XLogP4.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[[4-(cyclopropylmethyl)phenoxy]methyl]benzene?
The IUPAC name of 1-chloro-2-[[4-(cyclopropylmethyl)phenoxy]methyl]benzene (CID 6482557) is 1-chloro-2-[[4-(cyclopropylmethyl)phenoxy]methyl]benzene.
What is the SMILES notation for 1-chloro-2-[[4-(cyclopropylmethyl)phenoxy]methyl]benzene?
The canonical SMILES for 1-chloro-2-[[4-(cyclopropylmethyl)phenoxy]methyl]benzene is Clc1ccccc1COc1ccc(CC2CC2)cc1.
What is the InChIKey of 1-chloro-2-[[4-(cyclopropylmethyl)phenoxy]methyl]benzene?
The InChIKey is RSBYUZWLKDIHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO/c18-17-4-2-1-3-15(17)12-19-16-9-7-14(8-10-16)11-13-5-6-13/h1-4,7-10,13H,5-6,11-12H2.
What are the key properties of 1-chloro-2-[[4-(cyclopropylmethyl)phenoxy]methyl]benzene?
1-chloro-2-[[4-(cyclopropylmethyl)phenoxy]methyl]benzene has a molecular weight of 272.78 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[[4-(cyclopropylmethyl)phenoxy]methyl]benzene is sourced from PubChem (CID 6482557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).