[4-[(2-chloro-5-methylphenyl)methyl]phenyl] acetate

C16H15ClO2 — CID 123825546

IUPAC[4-[(2-chloro-5-methylphenyl)methyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(Cc2cc(C)ccc2Cl)cc1
InChIInChI=1S/C16H15ClO2/c1-11-3-8-16(17)14(9-11)10-13-4-6-15(7-5-13)19-12(2)18/h3-9H,10H2,1-2H3
InChIKeyGOLVMUFAASRRCB-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.16
Rot. Bonds3

About [4-[(2-chloro-5-methylphenyl)methyl]phenyl] acetate

[4-[(2-chloro-5-methylphenyl)methyl]phenyl] acetate (PubChem CID 123825546) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is [4-[(2-chloro-5-methylphenyl)methyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[(2-chloro-5-methylphenyl)methyl]phenyl] acetate
PubChem CID123825546
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name[4-[(2-chloro-5-methylphenyl)methyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(Cc2cc(C)ccc2Cl)cc1
InChIInChI=1S/C16H15ClO2/c1-11-3-8-16(17)14(9-11)10-13-4-6-15(7-5-13)19-12(2)18/h3-9H,10H2,1-2H3
InChIKeyGOLVMUFAASRRCB-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

1-chloro-4-methyl-2-[(4-propoxyphenyl)methyl]benzene
CID 123745786
(4-methylphenyl) 2-(4-acetyloxyphenyl)acetate
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1-(2-chloro-5-methylphenyl)propan-2-one
CID 58483794
(4-methylphenyl) acetate;zinc
CID 159589232
methyl 2-(2-chloro-5-methylphenyl)acetate
CID 86187737
(4-chlorophenyl) acetate
CID 13410
(4-chloro-3-hydroxyphenyl) acetate
CID 11052361
[4-(2-chloroethyl)phenyl] acetate
CID 11847845
[4-(3,4-dichlorobenzoyl)phenyl] acetate
CID 24723041
[4-[[4-[4-[(4-methoxyphenyl)methyl]phenoxy]carbonyloxyphenyl]methyl]phenyl] acetate
CID 158229898
[4-[(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]phenyl] acetate
CID 10827931
[(2R,3R,4R,5S)-3,4,5-triacetyloxy-6-[3-[(4-acetyloxyphenyl)methyl]-4-chlorophenyl]oxan-2-yl]methyl acetate
CID 58789970

Frequently Asked Questions

What is the IUPAC name of [4-[(2-chloro-5-methylphenyl)methyl]phenyl] acetate?
The IUPAC name of [4-[(2-chloro-5-methylphenyl)methyl]phenyl] acetate (CID 123825546) is [4-[(2-chloro-5-methylphenyl)methyl]phenyl] acetate.
What is the SMILES notation for [4-[(2-chloro-5-methylphenyl)methyl]phenyl] acetate?
The canonical SMILES for [4-[(2-chloro-5-methylphenyl)methyl]phenyl] acetate is CC(=O)Oc1ccc(Cc2cc(C)ccc2Cl)cc1.
What is the InChIKey of [4-[(2-chloro-5-methylphenyl)methyl]phenyl] acetate?
The InChIKey is GOLVMUFAASRRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-11-3-8-16(17)14(9-11)10-13-4-6-15(7-5-13)19-12(2)18/h3-9H,10H2,1-2H3.
What are the key properties of [4-[(2-chloro-5-methylphenyl)methyl]phenyl] acetate?
[4-[(2-chloro-5-methylphenyl)methyl]phenyl] acetate has a molecular weight of 274.75 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chloro-5-methylphenyl)methyl]phenyl] acetate is sourced from PubChem (CID 123825546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).