1-(5-chlorothiophen-2-yl)-2-(cyclohexylmethoxy)propan-1-one

C14H19ClO2S — CID 62381541

IUPAC1-(5-chlorothiophen-2-yl)-2-(cyclohexylmethoxy)propan-1-one
SMILESCC(OCC1CCCCC1)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H19ClO2S/c1-10(14(16)12-7-8-13(15)18-12)17-9-11-5-3-2-4-6-11/h7-8,10-11H,2-6,9H2,1H3
InChIKeySQDXLLAKHNTVLB-UHFFFAOYSA-N
MW286.82 g/mol
LogP4.57
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-2-(cyclohexylmethoxy)propan-1-one

1-(5-chlorothiophen-2-yl)-2-(cyclohexylmethoxy)propan-1-one (PubChem CID 62381541) has the molecular formula C14H19ClO2S and a molecular weight of 286.82 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(cyclohexylmethoxy)propan-1-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(cyclohexylmethoxy)propan-1-one
PubChem CID62381541
Molecular FormulaC14H19ClO2S
Molecular Weight286.82 g/mol
Exact Mass286.08
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(cyclohexylmethoxy)propan-1-one
SMILESCC(OCC1CCCCC1)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H19ClO2S/c1-10(14(16)12-7-8-13(15)18-12)17-9-11-5-3-2-4-6-11/h7-8,10-11H,2-6,9H2,1H3
InChIKeySQDXLLAKHNTVLB-UHFFFAOYSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.82
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-cyclobutyloxypropan-1-one
CID 62140850
1-(5-chlorothiophen-2-yl)-2-(3-methylbutoxy)propan-1-one
CID 43798494
1-(5-chlorothiophen-2-yl)-2-(4-methylpentoxy)propan-1-one
CID 43800457
1-(5-chlorothiophen-2-yl)-2-[cyclohexyl(methyl)amino]propan-1-one
CID 43794657
1-(5-chlorothiophen-2-yl)-2-[cyclopropylmethyl(propan-2-yl)amino]propan-1-one
CID 54999654
1-(5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-one
CID 43161016
(2R)-2-(cyclohexylmethoxy)pentan-3-one
CID 163532136
2-(cyclopentylmethoxy)-1-(4-ethylphenyl)propan-1-one
CID 66322866
1-(5-chlorothiophen-2-yl)-2-(3,4-dimethylcyclohexyl)oxypropan-1-one
CID 64744208
(2S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(cyclopropylmethoxy)propanamide
CID 94800140
1-(5-chlorothiophen-2-yl)-2-(furan-2-ylmethoxy)propan-1-one
CID 62031723
5-chloro-N-[(1S)-1-cyclohexylethyl]thiophene-2-carboxamide
CID 159200384

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(cyclohexylmethoxy)propan-1-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(cyclohexylmethoxy)propan-1-one (CID 62381541) is 1-(5-chlorothiophen-2-yl)-2-(cyclohexylmethoxy)propan-1-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(cyclohexylmethoxy)propan-1-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(cyclohexylmethoxy)propan-1-one is CC(OCC1CCCCC1)C(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(cyclohexylmethoxy)propan-1-one?
The InChIKey is SQDXLLAKHNTVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO2S/c1-10(14(16)12-7-8-13(15)18-12)17-9-11-5-3-2-4-6-11/h7-8,10-11H,2-6,9H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(cyclohexylmethoxy)propan-1-one?
1-(5-chlorothiophen-2-yl)-2-(cyclohexylmethoxy)propan-1-one has a molecular weight of 286.82 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(cyclohexylmethoxy)propan-1-one is sourced from PubChem (CID 62381541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).