2-chloro-3-ethoxy-4-ethyl-1-methyl-5-propylbenzene

C14H21ClO — CID 167096096

IUPAC2-chloro-3-ethoxy-4-ethyl-1-methyl-5-propylbenzene
SMILESCCCc1cc(C)c(Cl)c(OCC)c1CC
InChIInChI=1S/C14H21ClO/c1-5-8-11-9-10(4)13(15)14(16-7-3)12(11)6-2/h9H,5-8H2,1-4H3
InChIKeyQZCZXHJBJYCVNS-UHFFFAOYSA-N
MW240.77 g/mol
LogP4.56
Rot. Bonds5

About 2-chloro-3-ethoxy-4-ethyl-1-methyl-5-propylbenzene

2-chloro-3-ethoxy-4-ethyl-1-methyl-5-propylbenzene (PubChem CID 167096096) has the molecular formula C14H21ClO and a molecular weight of 240.77 g/mol. Its IUPAC name is 2-chloro-3-ethoxy-4-ethyl-1-methyl-5-propylbenzene.

Molecular Properties

Compound Name2-chloro-3-ethoxy-4-ethyl-1-methyl-5-propylbenzene
PubChem CID167096096
Molecular FormulaC14H21ClO
Molecular Weight240.77 g/mol
Exact Mass240.13
IUPAC Name2-chloro-3-ethoxy-4-ethyl-1-methyl-5-propylbenzene
SMILESCCCc1cc(C)c(Cl)c(OCC)c1CC
InChIInChI=1S/C14H21ClO/c1-5-8-11-9-10(4)13(15)14(16-7-3)12(11)6-2/h9H,5-8H2,1-4H3
InChIKeyQZCZXHJBJYCVNS-UHFFFAOYSA-N
XLogP4.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.77
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-Chloro-3-methoxy-2,5-bis(2,2,2-trifluoroethyl)phenyl]methanediol
CID 19612257
(2E)-3-(4-chloro-3-ethoxy-8-isopropyl-5,5-dimethyl-5,6-dihydronaphthalen-2-yl)-2-fluoro-but-2-en-1-ol
CID 22490906
(2E)-3-(4-Chloro-3-ethoxy-8-isopropyl-5,5-dimethyl-5,6-dihydronaphthalen-2-yl)-2-fluoro-but-2-enal
CID 22491057
7-chloro-5-fluoro-2,2,4-trimethyl-3H-1-benzofuran
CID 22955947
3-(4-chloro-3-ethoxy-5,5-dimethyl-8-propan-2-yl-6H-naphthalen-2-yl)-2-fluorobut-2-en-1-ol
CID 69729598
(2E)-3-(4-chloro-3-ethoxy-8-isopropyl-5,5-dimethyl-5,6-dihydronaphthalen-2-yl)-2-fluoro-pent-2-en-1-ol
CID 69731444
3-(4-chloro-3-ethoxy-5,5-dimethyl-8-propan-2-yl-6H-naphthalen-2-yl)-2-fluoropent-2-en-1-ol
CID 69731447
8-chloro-5,6-dimethyl-2-(trifluoromethyl)-2H-chromene
CID 69754582
3-(4-chloro-3-ethoxy-5,5-dimethyl-8-propan-2-yl-6H-naphthalen-2-yl)-2-fluorobut-2-enal
CID 73989374
ethyl (2E)-3-(4-chloro-3-ethoxy-8-isopropyl-5,5-dimethyl-5,6-dihydronaphthalen-2-yl)-2-fluoro-but-2-enoate
CID 86597858
(2E)-3-(4-Chloro-3-ethoxy-8-isopropyl-5,5-dimethyl-5,6-dihydronaphthalen-2-yl)-2-fluoro-pent-2-enal
CID 86597860
3-(4-chloro-3-ethoxy-5,5-dimethyl-8-propan-2-yl-6H-naphthalen-2-yl)-2-fluoropent-2-enal
CID 90794180

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-ethoxy-4-ethyl-1-methyl-5-propylbenzene?
The IUPAC name of 2-chloro-3-ethoxy-4-ethyl-1-methyl-5-propylbenzene (CID 167096096) is 2-chloro-3-ethoxy-4-ethyl-1-methyl-5-propylbenzene.
What is the SMILES notation for 2-chloro-3-ethoxy-4-ethyl-1-methyl-5-propylbenzene?
The canonical SMILES for 2-chloro-3-ethoxy-4-ethyl-1-methyl-5-propylbenzene is CCCc1cc(C)c(Cl)c(OCC)c1CC.
What is the InChIKey of 2-chloro-3-ethoxy-4-ethyl-1-methyl-5-propylbenzene?
The InChIKey is QZCZXHJBJYCVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO/c1-5-8-11-9-10(4)13(15)14(16-7-3)12(11)6-2/h9H,5-8H2,1-4H3.
What are the key properties of 2-chloro-3-ethoxy-4-ethyl-1-methyl-5-propylbenzene?
2-chloro-3-ethoxy-4-ethyl-1-methyl-5-propylbenzene has a molecular weight of 240.77 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-ethoxy-4-ethyl-1-methyl-5-propylbenzene is sourced from PubChem (CID 167096096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).