2-(3-chlorophenoxy)-1-(cyclohexen-1-yl)propan-1-one

C15H17ClO2 — CID 106656092

IUPAC2-(3-chlorophenoxy)-1-(cyclohexen-1-yl)propan-1-one
SMILESCC(Oc1cccc(Cl)c1)C(=O)C1=CCCCC1
InChIInChI=1S/C15H17ClO2/c1-11(15(17)12-6-3-2-4-7-12)18-14-9-5-8-13(16)10-14/h5-6,8-11H,2-4,7H2,1H3
InChIKeyNBCXZWTXPBRCIA-UHFFFAOYSA-N
MW264.75 g/mol
LogP4.18
Rot. Bonds4

About 2-(3-chlorophenoxy)-1-(cyclohexen-1-yl)propan-1-one

2-(3-chlorophenoxy)-1-(cyclohexen-1-yl)propan-1-one (PubChem CID 106656092) has the molecular formula C15H17ClO2 and a molecular weight of 264.75 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-(cyclohexen-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-(cyclohexen-1-yl)propan-1-one
PubChem CID106656092
Molecular FormulaC15H17ClO2
Molecular Weight264.75 g/mol
Exact Mass264.09
IUPAC Name2-(3-chlorophenoxy)-1-(cyclohexen-1-yl)propan-1-one
SMILESCC(Oc1cccc(Cl)c1)C(=O)C1=CCCCC1
InChIInChI=1S/C15H17ClO2/c1-11(15(17)12-6-3-2-4-7-12)18-14-9-5-8-13(16)10-14/h5-6,8-11H,2-4,7H2,1H3
InChIKeyNBCXZWTXPBRCIA-UHFFFAOYSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.75
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(3-chlorophenoxy)propanehydrazide
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(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
CID 966270
(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254
(2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide
CID 40538344
N-(2-chloroethyl)-2-(3-chlorophenoxy)-N-methylpropanamide
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CID 105113491

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-(cyclohexen-1-yl)propan-1-one?
The IUPAC name of 2-(3-chlorophenoxy)-1-(cyclohexen-1-yl)propan-1-one (CID 106656092) is 2-(3-chlorophenoxy)-1-(cyclohexen-1-yl)propan-1-one.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-(cyclohexen-1-yl)propan-1-one?
The canonical SMILES for 2-(3-chlorophenoxy)-1-(cyclohexen-1-yl)propan-1-one is CC(Oc1cccc(Cl)c1)C(=O)C1=CCCCC1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-(cyclohexen-1-yl)propan-1-one?
The InChIKey is NBCXZWTXPBRCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClO2/c1-11(15(17)12-6-3-2-4-7-12)18-14-9-5-8-13(16)10-14/h5-6,8-11H,2-4,7H2,1H3.
What are the key properties of 2-(3-chlorophenoxy)-1-(cyclohexen-1-yl)propan-1-one?
2-(3-chlorophenoxy)-1-(cyclohexen-1-yl)propan-1-one has a molecular weight of 264.75 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-(cyclohexen-1-yl)propan-1-one is sourced from PubChem (CID 106656092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).