2-[4-[(4-chlorophenyl)methyl]cyclohexa-1,5-dien-1-yl]oxyethanol

C15H17ClO2 — CID 163584107

IUPAC2-[4-[(4-chlorophenyl)methyl]cyclohexa-1,5-dien-1-yl]oxyethanol
SMILESOCCOC1=CCC(Cc2ccc(Cl)cc2)C=C1
InChIInChI=1S/C15H17ClO2/c16-14-5-1-12(2-6-14)11-13-3-7-15(8-4-13)18-10-9-17/h1-3,5-8,13,17H,4,9-11H2
InChIKeyXNNKIIZRYAVWRB-UHFFFAOYSA-N
MW264.75 g/mol
LogP3.35
Rot. Bonds5

About 2-[4-[(4-chlorophenyl)methyl]cyclohexa-1,5-dien-1-yl]oxyethanol

2-[4-[(4-chlorophenyl)methyl]cyclohexa-1,5-dien-1-yl]oxyethanol (PubChem CID 163584107) has the molecular formula C15H17ClO2 and a molecular weight of 264.75 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)methyl]cyclohexa-1,5-dien-1-yl]oxyethanol.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)methyl]cyclohexa-1,5-dien-1-yl]oxyethanol
PubChem CID163584107
Molecular FormulaC15H17ClO2
Molecular Weight264.75 g/mol
Exact Mass264.09
IUPAC Name2-[4-[(4-chlorophenyl)methyl]cyclohexa-1,5-dien-1-yl]oxyethanol
SMILESOCCOC1=CCC(Cc2ccc(Cl)cc2)C=C1
InChIInChI=1S/C15H17ClO2/c16-14-5-1-12(2-6-14)11-13-3-7-15(8-4-13)18-10-9-17/h1-3,5-8,13,17H,4,9-11H2
InChIKeyXNNKIIZRYAVWRB-UHFFFAOYSA-N
XLogP3.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.75
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)methyl]cyclohexa-1,5-dien-1-yl]oxyethanol?
The IUPAC name of 2-[4-[(4-chlorophenyl)methyl]cyclohexa-1,5-dien-1-yl]oxyethanol (CID 163584107) is 2-[4-[(4-chlorophenyl)methyl]cyclohexa-1,5-dien-1-yl]oxyethanol.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)methyl]cyclohexa-1,5-dien-1-yl]oxyethanol?
The canonical SMILES for 2-[4-[(4-chlorophenyl)methyl]cyclohexa-1,5-dien-1-yl]oxyethanol is OCCOC1=CCC(Cc2ccc(Cl)cc2)C=C1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)methyl]cyclohexa-1,5-dien-1-yl]oxyethanol?
The InChIKey is XNNKIIZRYAVWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClO2/c16-14-5-1-12(2-6-14)11-13-3-7-15(8-4-13)18-10-9-17/h1-3,5-8,13,17H,4,9-11H2.
What are the key properties of 2-[4-[(4-chlorophenyl)methyl]cyclohexa-1,5-dien-1-yl]oxyethanol?
2-[4-[(4-chlorophenyl)methyl]cyclohexa-1,5-dien-1-yl]oxyethanol has a molecular weight of 264.75 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)methyl]cyclohexa-1,5-dien-1-yl]oxyethanol is sourced from PubChem (CID 163584107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).