(3-chloro-4-methylphenyl)-(4-ethoxyoxan-4-yl)methanone

C15H19ClO3 — CID 107559961

IUPAC(3-chloro-4-methylphenyl)-(4-ethoxyoxan-4-yl)methanone
SMILESCCOC1(C(=O)c2ccc(C)c(Cl)c2)CCOCC1
InChIInChI=1S/C15H19ClO3/c1-3-19-15(6-8-18-9-7-15)14(17)12-5-4-11(2)13(16)10-12/h4-5,10H,3,6-9H2,1-2H3
InChIKeySGSVINKGUZLUQL-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.42
Rot. Bonds4

About (3-chloro-4-methylphenyl)-(4-ethoxyoxan-4-yl)methanone

(3-chloro-4-methylphenyl)-(4-ethoxyoxan-4-yl)methanone (PubChem CID 107559961) has the molecular formula C15H19ClO3 and a molecular weight of 282.77 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(4-ethoxyoxan-4-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(4-ethoxyoxan-4-yl)methanone
PubChem CID107559961
Molecular FormulaC15H19ClO3
Molecular Weight282.77 g/mol
Exact Mass282.10
IUPAC Name(3-chloro-4-methylphenyl)-(4-ethoxyoxan-4-yl)methanone
SMILESCCOC1(C(=O)c2ccc(C)c(Cl)c2)CCOCC1
InChIInChI=1S/C15H19ClO3/c1-3-19-15(6-8-18-9-7-15)14(17)12-5-4-11(2)13(16)10-12/h4-5,10H,3,6-9H2,1-2H3
InChIKeySGSVINKGUZLUQL-UHFFFAOYSA-N
XLogP3.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dichlorophenyl)-(1-ethoxycycloheptyl)methanone
CID 116750698
(3,5-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 116748922
(3-chloro-4-methylphenyl)-(1-methoxycyclopentyl)methanone
CID 107559939
3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzamide
CID 103954122
3-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzamide
CID 79040021
ethyl 2-(3-chloro-4-methylphenyl)-2-oxoacetate
CID 24722247
(4-ethoxyoxan-4-yl)-(3-propan-2-yloxyphenyl)methanone
CID 116748889
(1-ethoxycycloheptyl)-(4-fluoro-3-methylphenyl)methanone
CID 116750796
(1-ethoxycyclohexyl)-(4-methylphenyl)methanone
CID 116748478
(3-cyclobutylphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 114602138
(3-chloro-4-methylphenyl)-[1-(diethylamino)cyclopentyl]methanone
CID 107559882
(4-ethoxyoxan-4-yl)-(5-ethoxy-3-pyridinyl)methanone
CID 116748926

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(4-ethoxyoxan-4-yl)methanone?
The IUPAC name of (3-chloro-4-methylphenyl)-(4-ethoxyoxan-4-yl)methanone (CID 107559961) is (3-chloro-4-methylphenyl)-(4-ethoxyoxan-4-yl)methanone.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(4-ethoxyoxan-4-yl)methanone?
The canonical SMILES for (3-chloro-4-methylphenyl)-(4-ethoxyoxan-4-yl)methanone is CCOC1(C(=O)c2ccc(C)c(Cl)c2)CCOCC1.
What is the InChIKey of (3-chloro-4-methylphenyl)-(4-ethoxyoxan-4-yl)methanone?
The InChIKey is SGSVINKGUZLUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO3/c1-3-19-15(6-8-18-9-7-15)14(17)12-5-4-11(2)13(16)10-12/h4-5,10H,3,6-9H2,1-2H3.
What are the key properties of (3-chloro-4-methylphenyl)-(4-ethoxyoxan-4-yl)methanone?
(3-chloro-4-methylphenyl)-(4-ethoxyoxan-4-yl)methanone has a molecular weight of 282.77 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-(4-ethoxyoxan-4-yl)methanone is sourced from PubChem (CID 107559961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).