1-chloro-4-propylbenzene;ethylbenzene;1-ethyl-4-nonylbenzene

C34H49Cl — CID 160963410

IUPAC1-chloro-4-propylbenzene;ethylbenzene;1-ethyl-4-nonylbenzene
SMILESCCCCCCCCCc1ccc(CC)cc1.CCCc1ccc(Cl)cc1.CCc1ccccc1
InChIInChI=1S/C17H28.C9H11Cl.C8H10/c1-3-5-6-7-8-9-10-11-17-14-12-16(4-2)13-15-17;1-2-3-8-4-6-9(10)7-5-8;1-2-8-6-4-3-5-7-8/h12-15H,3-11H2,1-2H3;4-7H,2-3H2,1H3;3-7H,2H2,1H3
InChIKeySXHJXSVQFPMODP-UHFFFAOYSA-N
MW493.22 g/mol
LogP11.08
Rot. Bonds12

About 1-chloro-4-propylbenzene;ethylbenzene;1-ethyl-4-nonylbenzene

1-chloro-4-propylbenzene;ethylbenzene;1-ethyl-4-nonylbenzene (PubChem CID 160963410) has the molecular formula C34H49Cl and a molecular weight of 493.22 g/mol. Its IUPAC name is 1-chloro-4-propylbenzene;ethylbenzene;1-ethyl-4-nonylbenzene.

Molecular Properties

Compound Name1-chloro-4-propylbenzene;ethylbenzene;1-ethyl-4-nonylbenzene
PubChem CID160963410
Molecular FormulaC34H49Cl
Molecular Weight493.22 g/mol
Exact Mass492.35
IUPAC Name1-chloro-4-propylbenzene;ethylbenzene;1-ethyl-4-nonylbenzene
SMILESCCCCCCCCCc1ccc(CC)cc1.CCCc1ccc(Cl)cc1.CCc1ccccc1
InChIInChI=1S/C17H28.C9H11Cl.C8H10/c1-3-5-6-7-8-9-10-11-17-14-12-16(4-2)13-15-17;1-2-3-8-4-6-9(10)7-5-8;1-2-8-6-4-3-5-7-8/h12-15H,3-11H2,1-2H3;4-7H,2-3H2,1H3;3-7H,2H2,1H3
InChIKeySXHJXSVQFPMODP-UHFFFAOYSA-N
XLogP11.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.22
LogP ≤ 511.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-octacosylbenzene
CID 175218304
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
hexylbenzene;hydrogen peroxide
CID 90001206
CID 67791041
CID 67791041
dodecylbenzene;sulfane
CID 20560423
azane;tetradecylbenzene
CID 70503489
hexakis(decane);ethylbenzene
CID 173398562
dichlorophosphane;octylbenzene
CID 173449895

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-propylbenzene;ethylbenzene;1-ethyl-4-nonylbenzene?
The IUPAC name of 1-chloro-4-propylbenzene;ethylbenzene;1-ethyl-4-nonylbenzene (CID 160963410) is 1-chloro-4-propylbenzene;ethylbenzene;1-ethyl-4-nonylbenzene.
What is the SMILES notation for 1-chloro-4-propylbenzene;ethylbenzene;1-ethyl-4-nonylbenzene?
The canonical SMILES for 1-chloro-4-propylbenzene;ethylbenzene;1-ethyl-4-nonylbenzene is CCCCCCCCCc1ccc(CC)cc1.CCCc1ccc(Cl)cc1.CCc1ccccc1.
What is the InChIKey of 1-chloro-4-propylbenzene;ethylbenzene;1-ethyl-4-nonylbenzene?
The InChIKey is SXHJXSVQFPMODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28.C9H11Cl.C8H10/c1-3-5-6-7-8-9-10-11-17-14-12-16(4-2)13-15-17;1-2-3-8-4-6-9(10)7-5-8;1-2-8-6-4-3-5-7-8/h12-15H,3-11H2,1-2H3;4-7H,2-3H2,1H3;3-7H,2H2,1H3.
What are the key properties of 1-chloro-4-propylbenzene;ethylbenzene;1-ethyl-4-nonylbenzene?
1-chloro-4-propylbenzene;ethylbenzene;1-ethyl-4-nonylbenzene has a molecular weight of 493.22 g/mol, XLogP of 11.08, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-propylbenzene;ethylbenzene;1-ethyl-4-nonylbenzene is sourced from PubChem (CID 160963410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).