4-(2-chloroethyl)-2-ethoxy-1-methoxybenzene

C11H15ClO2 — CID 68520783

IUPAC4-(2-chloroethyl)-2-ethoxy-1-methoxybenzene
SMILESCCOc1cc(CCCl)ccc1OC
InChIInChI=1S/C11H15ClO2/c1-3-14-11-8-9(6-7-12)4-5-10(11)13-2/h4-5,8H,3,6-7H2,1-2H3
InChIKeyAOKAOMOJCQSWLQ-UHFFFAOYSA-N
MW214.69 g/mol
LogP2.88
Rot. Bonds5

About 4-(2-chloroethyl)-2-ethoxy-1-methoxybenzene

4-(2-chloroethyl)-2-ethoxy-1-methoxybenzene (PubChem CID 68520783) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is 4-(2-chloroethyl)-2-ethoxy-1-methoxybenzene.

Molecular Properties

Compound Name4-(2-chloroethyl)-2-ethoxy-1-methoxybenzene
PubChem CID68520783
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name4-(2-chloroethyl)-2-ethoxy-1-methoxybenzene
SMILESCCOc1cc(CCCl)ccc1OC
InChIInChI=1S/C11H15ClO2/c1-3-14-11-8-9(6-7-12)4-5-10(11)13-2/h4-5,8H,3,6-7H2,1-2H3
InChIKeyAOKAOMOJCQSWLQ-UHFFFAOYSA-N
XLogP2.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-chlorobutyl)-2-ethoxy-1-methoxybenzene
CID 82161430
1-(3-ethoxy-4-methoxyphenyl)-N,N-dimethylmethanamine
CID 142063671
1,2-diethoxy-4-propylbenzene
CID 3995471
4-(chloromethyl)-1,2-diethoxybenzene
CID 2434831
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid
CID 16638088
1-(3-chloropropyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891565
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717191
2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 7144569
2-[2-(3-ethoxy-4-methoxyphenyl)ethyl]-5-methyl-1,3,4-oxadiazole
CID 91508978
3-(3-ethoxy-4-methoxyphenyl)-N-ethylpropanamide
CID 58655197
1,1,2,2-tetradeuterio-2-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 118023605

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)-2-ethoxy-1-methoxybenzene?
The IUPAC name of 4-(2-chloroethyl)-2-ethoxy-1-methoxybenzene (CID 68520783) is 4-(2-chloroethyl)-2-ethoxy-1-methoxybenzene.
What is the SMILES notation for 4-(2-chloroethyl)-2-ethoxy-1-methoxybenzene?
The canonical SMILES for 4-(2-chloroethyl)-2-ethoxy-1-methoxybenzene is CCOc1cc(CCCl)ccc1OC.
What is the InChIKey of 4-(2-chloroethyl)-2-ethoxy-1-methoxybenzene?
The InChIKey is AOKAOMOJCQSWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2/c1-3-14-11-8-9(6-7-12)4-5-10(11)13-2/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 4-(2-chloroethyl)-2-ethoxy-1-methoxybenzene?
4-(2-chloroethyl)-2-ethoxy-1-methoxybenzene has a molecular weight of 214.69 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethyl)-2-ethoxy-1-methoxybenzene is sourced from PubChem (CID 68520783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).