1-chloro-4-(1-propan-2-yloxyethyl)benzene;ethane

C13H21ClO — CID 144923425

IUPAC1-chloro-4-(1-propan-2-yloxyethyl)benzene;ethane
SMILESCC.CC(C)OC(C)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClO.C2H6/c1-8(2)13-9(3)10-4-6-11(12)7-5-10;1-2/h4-9H,1-3H3;1-2H3
InChIKeyIGTOSDKGDMKLOS-UHFFFAOYSA-N
MW228.76 g/mol
LogP4.85
Rot. Bonds3

About 1-chloro-4-(1-propan-2-yloxyethyl)benzene;ethane

1-chloro-4-(1-propan-2-yloxyethyl)benzene;ethane (PubChem CID 144923425) has the molecular formula C13H21ClO and a molecular weight of 228.76 g/mol. Its IUPAC name is 1-chloro-4-(1-propan-2-yloxyethyl)benzene;ethane.

Molecular Properties

Compound Name1-chloro-4-(1-propan-2-yloxyethyl)benzene;ethane
PubChem CID144923425
Molecular FormulaC13H21ClO
Molecular Weight228.76 g/mol
Exact Mass228.13
IUPAC Name1-chloro-4-(1-propan-2-yloxyethyl)benzene;ethane
SMILESCC.CC(C)OC(C)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClO.C2H6/c1-8(2)13-9(3)10-4-6-11(12)7-5-10;1-2/h4-9H,1-3H3;1-2H3
InChIKeyIGTOSDKGDMKLOS-UHFFFAOYSA-N
XLogP4.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.76
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-bromo-1-(1-phenylethoxy)ethyl]-4-chlorobenzene
CID 62106906
[(1S)-1-(4-chlorophenyl)ethyl] carbamate
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1-(4-chlorophenyl)ethylazanium
CID 18541873
1-chloro-4-(3-methylbutan-2-yl)benzene;ethane
CID 166470462
1-chloro-4-[2-propan-2-yloxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene
CID 155280028
2-[(4-chlorophenyl)-propan-2-yloxymethyl]oxirane
CID 54042646
1-(4-chlorophenyl)ethoxy-hydroxy-dimethyl-oxo-λ6-sulfane
CID 123849990
1-(4-chlorophenyl)ethaneselenol
CID 139265582
1-butan-2-yl-4-chlorobenzene;ethane
CID 91162250
CID 70496086
CID 70496086
(4-chlorophenyl)-di(propan-2-yloxy)phosphane
CID 13155221
[(1S)-1-(4-chlorophenyl)ethyl] N,N-di(propan-2-yl)carbamate
CID 46909844

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(1-propan-2-yloxyethyl)benzene;ethane?
The IUPAC name of 1-chloro-4-(1-propan-2-yloxyethyl)benzene;ethane (CID 144923425) is 1-chloro-4-(1-propan-2-yloxyethyl)benzene;ethane.
What is the SMILES notation for 1-chloro-4-(1-propan-2-yloxyethyl)benzene;ethane?
The canonical SMILES for 1-chloro-4-(1-propan-2-yloxyethyl)benzene;ethane is CC.CC(C)OC(C)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(1-propan-2-yloxyethyl)benzene;ethane?
The InChIKey is IGTOSDKGDMKLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO.C2H6/c1-8(2)13-9(3)10-4-6-11(12)7-5-10;1-2/h4-9H,1-3H3;1-2H3.
What are the key properties of 1-chloro-4-(1-propan-2-yloxyethyl)benzene;ethane?
1-chloro-4-(1-propan-2-yloxyethyl)benzene;ethane has a molecular weight of 228.76 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(1-propan-2-yloxyethyl)benzene;ethane is sourced from PubChem (CID 144923425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).