(2-chloro-5-methylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate

C18H19ClO5 — CID 7921059

IUPAC(2-chloro-5-methylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCOc1cc(CC(=O)Oc2cc(C)ccc2Cl)cc(OC)c1OC
InChIInChI=1S/C18H19ClO5/c1-11-5-6-13(19)14(7-11)24-17(20)10-12-8-15(21-2)18(23-4)16(9-12)22-3/h5-9H,10H2,1-4H3
InChIKeyFJSHUVZCAMNNHV-UHFFFAOYSA-N
MW350.80 g/mol
LogP3.82
Rot. Bonds6

About (2-chloro-5-methylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate

(2-chloro-5-methylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate (PubChem CID 7921059) has the molecular formula C18H19ClO5 and a molecular weight of 350.80 g/mol. Its IUPAC name is (2-chloro-5-methylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate.

Molecular Properties

Compound Name(2-chloro-5-methylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
PubChem CID7921059
Molecular FormulaC18H19ClO5
Molecular Weight350.80 g/mol
Exact Mass350.09
IUPAC Name(2-chloro-5-methylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCOc1cc(CC(=O)Oc2cc(C)ccc2Cl)cc(OC)c1OC
InChIInChI=1S/C18H19ClO5/c1-11-5-6-13(19)14(7-11)24-17(20)10-12-8-15(21-2)18(23-4)16(9-12)22-3/h5-9H,10H2,1-4H3
InChIKeyFJSHUVZCAMNNHV-UHFFFAOYSA-N
XLogP3.82
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 8778510
4-O-(2-chloro-5-methylphenyl) 1-O-methyl butanedioate
CID 94271897
bis(2-chloro-5-methylphenyl) hexanedioate
CID 91704940
(2,5-dimethylphenyl) 2-(3,4-dichlorophenyl)acetate
CID 2470853
(4-phenylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 7926501
[(2S)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 8013700
(2,6-dichlorophenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate
CID 2434345
[4-(2-methoxyethyl)phenyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 8867360
(2-chloro-5-methylphenyl) pentanoate
CID 78780315
[2-chloro-4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 138961610
(4-phenylmethoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 8019810
(2-chloro-5-methylphenyl) 3-cyanopropanoate
CID 82114838

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-methylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate?
The IUPAC name of (2-chloro-5-methylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate (CID 7921059) is (2-chloro-5-methylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate.
What is the SMILES notation for (2-chloro-5-methylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate?
The canonical SMILES for (2-chloro-5-methylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate is COc1cc(CC(=O)Oc2cc(C)ccc2Cl)cc(OC)c1OC.
What is the InChIKey of (2-chloro-5-methylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate?
The InChIKey is FJSHUVZCAMNNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO5/c1-11-5-6-13(19)14(7-11)24-17(20)10-12-8-15(21-2)18(23-4)16(9-12)22-3/h5-9H,10H2,1-4H3.
What are the key properties of (2-chloro-5-methylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate?
(2-chloro-5-methylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate has a molecular weight of 350.80 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-methylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate is sourced from PubChem (CID 7921059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).