1-chloro-2-ethoxy-3-propylbenzene

C11H15ClO — CID 143260119

IUPAC1-chloro-2-ethoxy-3-propylbenzene
SMILESCCCc1cccc(Cl)c1OCC
InChIInChI=1S/C11H15ClO/c1-3-6-9-7-5-8-10(12)11(9)13-4-2/h5,7-8H,3-4,6H2,1-2H3
InChIKeyVYMSURZLZKWERL-UHFFFAOYSA-N
MW198.69 g/mol
LogP3.69
Rot. Bonds4

About 1-chloro-2-ethoxy-3-propylbenzene

1-chloro-2-ethoxy-3-propylbenzene (PubChem CID 143260119) has the molecular formula C11H15ClO and a molecular weight of 198.69 g/mol. Its IUPAC name is 1-chloro-2-ethoxy-3-propylbenzene.

Molecular Properties

Compound Name1-chloro-2-ethoxy-3-propylbenzene
PubChem CID143260119
Molecular FormulaC11H15ClO
Molecular Weight198.69 g/mol
Exact Mass198.08
IUPAC Name1-chloro-2-ethoxy-3-propylbenzene
SMILESCCCc1cccc(Cl)c1OCC
InChIInChI=1S/C11H15ClO/c1-3-6-9-7-5-8-10(12)11(9)13-4-2/h5,7-8H,3-4,6H2,1-2H3
InChIKeyVYMSURZLZKWERL-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.69
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethoxy-1,3-dipropylbenzene
CID 14665558
2-(3-chloro-2-ethoxyphenyl)acetic acid
CID 75525846
1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine
CID 58664109
1-[(3-chloro-2-ethoxyphenyl)methyl]piperazine
CID 120833653
1,8-dichloro-9,10-diethoxyanthracene
CID 139930191
1-chloro-3-(chloromethyl)-2-nonoxybenzene
CID 112613503
(3-chloro-2-ethoxyphenyl)hydrazine
CID 130779145
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylacetamide
CID 112615081
(3-chloro-2-octoxyphenyl)methanol
CID 112612718
1-(bromomethyl)-3-chloro-2-octoxybenzene
CID 112613741
1-(3-chloro-2-ethoxyphenyl)-N-methylmethanimine
CID 58692463
1-(3-chloro-2-ethoxyphenyl)ethanamine;hydrochloride
CID 163284852

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-ethoxy-3-propylbenzene?
The IUPAC name of 1-chloro-2-ethoxy-3-propylbenzene (CID 143260119) is 1-chloro-2-ethoxy-3-propylbenzene.
What is the SMILES notation for 1-chloro-2-ethoxy-3-propylbenzene?
The canonical SMILES for 1-chloro-2-ethoxy-3-propylbenzene is CCCc1cccc(Cl)c1OCC.
What is the InChIKey of 1-chloro-2-ethoxy-3-propylbenzene?
The InChIKey is VYMSURZLZKWERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO/c1-3-6-9-7-5-8-10(12)11(9)13-4-2/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of 1-chloro-2-ethoxy-3-propylbenzene?
1-chloro-2-ethoxy-3-propylbenzene has a molecular weight of 198.69 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-ethoxy-3-propylbenzene is sourced from PubChem (CID 143260119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).