1-(2-chlorophenyl)pentyl acetate

C13H17ClO2 — CID 141200843

IUPAC1-(2-chlorophenyl)pentyl acetate
SMILESCCCCC(OC(C)=O)c1ccccc1Cl
InChIInChI=1S/C13H17ClO2/c1-3-4-9-13(16-10(2)15)11-7-5-6-8-12(11)14/h5-8,13H,3-4,9H2,1-2H3
InChIKeyRWAFCQCHWOBKRX-UHFFFAOYSA-N
MW240.73 g/mol
LogP4.13
Rot. Bonds5

About 1-(2-chlorophenyl)pentyl acetate

1-(2-chlorophenyl)pentyl acetate (PubChem CID 141200843) has the molecular formula C13H17ClO2 and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-(2-chlorophenyl)pentyl acetate.

Molecular Properties

Compound Name1-(2-chlorophenyl)pentyl acetate
PubChem CID141200843
Molecular FormulaC13H17ClO2
Molecular Weight240.73 g/mol
Exact Mass240.09
IUPAC Name1-(2-chlorophenyl)pentyl acetate
SMILESCCCCC(OC(C)=O)c1ccccc1Cl
InChIInChI=1S/C13H17ClO2/c1-3-4-9-13(16-10(2)15)11-7-5-6-8-12(11)14/h5-8,13H,3-4,9H2,1-2H3
InChIKeyRWAFCQCHWOBKRX-UHFFFAOYSA-N
XLogP4.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S)-1-acetyloxypentyl]benzoic acid
CID 71606428
[(1S)-1-phenylpentyl] acetate
CID 12651064
[(2R)-2-acetyloxy-2-(2-chlorophenyl)ethyl] acetate
CID 53355739
ethyl 2-(2-chlorophenyl)hexanoate
CID 142202893
ethyl 3-acetyloxy-3-(2-chlorophenyl)-2-phenylpropanoate
CID 139713807
1-chloro-2-(1-iodopentyl)benzene
CID 126727216
1-(2-chlorophenyl)hexan-1-ol
CID 62606389
triethyl 2-(2-chlorophenyl)ethane-1,1,2-tricarboxylate
CID 102417450
1-(6-bromo-2-pyridinyl)pentyl acetate
CID 87735543
(1-anilino-1-oxohexan-2-yl) acetate
CID 134107020
[2-amino-1-(2-chlorophenyl)ethyl] ethaneperoxoate;hydrochloride
CID 146368556
1-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)octyl acetate
CID 142627071

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)pentyl acetate?
The IUPAC name of 1-(2-chlorophenyl)pentyl acetate (CID 141200843) is 1-(2-chlorophenyl)pentyl acetate.
What is the SMILES notation for 1-(2-chlorophenyl)pentyl acetate?
The canonical SMILES for 1-(2-chlorophenyl)pentyl acetate is CCCCC(OC(C)=O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)pentyl acetate?
The InChIKey is RWAFCQCHWOBKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO2/c1-3-4-9-13(16-10(2)15)11-7-5-6-8-12(11)14/h5-8,13H,3-4,9H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)pentyl acetate?
1-(2-chlorophenyl)pentyl acetate has a molecular weight of 240.73 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)pentyl acetate is sourced from PubChem (CID 141200843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).