2-chloro-3-ethoxy-4-methyl-1-propan-2-yl-5-propylbenzene

C15H23ClO — CID 167096203

IUPAC2-chloro-3-ethoxy-4-methyl-1-propan-2-yl-5-propylbenzene
SMILESCCCc1cc(C(C)C)c(Cl)c(OCC)c1C
InChIInChI=1S/C15H23ClO/c1-6-8-12-9-13(10(3)4)14(16)15(11(12)5)17-7-2/h9-10H,6-8H2,1-5H3
InChIKeyAOYXVOXWRPHEDA-UHFFFAOYSA-N
MW254.80 g/mol
LogP5.12
Rot. Bonds5

About 2-chloro-3-ethoxy-4-methyl-1-propan-2-yl-5-propylbenzene

2-chloro-3-ethoxy-4-methyl-1-propan-2-yl-5-propylbenzene (PubChem CID 167096203) has the molecular formula C15H23ClO and a molecular weight of 254.80 g/mol. Its IUPAC name is 2-chloro-3-ethoxy-4-methyl-1-propan-2-yl-5-propylbenzene.

Molecular Properties

Compound Name2-chloro-3-ethoxy-4-methyl-1-propan-2-yl-5-propylbenzene
PubChem CID167096203
Molecular FormulaC15H23ClO
Molecular Weight254.80 g/mol
Exact Mass254.14
IUPAC Name2-chloro-3-ethoxy-4-methyl-1-propan-2-yl-5-propylbenzene
SMILESCCCc1cc(C(C)C)c(Cl)c(OCC)c1C
InChIInChI=1S/C15H23ClO/c1-6-8-12-9-13(10(3)4)14(16)15(11(12)5)17-7-2/h9-10H,6-8H2,1-5H3
InChIKeyAOYXVOXWRPHEDA-UHFFFAOYSA-N
XLogP5.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.80
LogP ≤ 55.12
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
1-Chloro-3-(4-fluorophenyl)-2-methoxy-5-propan-2-yl-4-prop-1-enylbenzene
CID 53940147
3-Chloro-1-fluoro-2-propan-2-yl-4-propoxybenzene
CID 58402518
2-Butyl-5-chloro-7-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalene
CID 69684507
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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-ethoxy-4-methyl-1-propan-2-yl-5-propylbenzene?
The IUPAC name of 2-chloro-3-ethoxy-4-methyl-1-propan-2-yl-5-propylbenzene (CID 167096203) is 2-chloro-3-ethoxy-4-methyl-1-propan-2-yl-5-propylbenzene.
What is the SMILES notation for 2-chloro-3-ethoxy-4-methyl-1-propan-2-yl-5-propylbenzene?
The canonical SMILES for 2-chloro-3-ethoxy-4-methyl-1-propan-2-yl-5-propylbenzene is CCCc1cc(C(C)C)c(Cl)c(OCC)c1C.
What is the InChIKey of 2-chloro-3-ethoxy-4-methyl-1-propan-2-yl-5-propylbenzene?
The InChIKey is AOYXVOXWRPHEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClO/c1-6-8-12-9-13(10(3)4)14(16)15(11(12)5)17-7-2/h9-10H,6-8H2,1-5H3.
What are the key properties of 2-chloro-3-ethoxy-4-methyl-1-propan-2-yl-5-propylbenzene?
2-chloro-3-ethoxy-4-methyl-1-propan-2-yl-5-propylbenzene has a molecular weight of 254.80 g/mol, XLogP of 5.12, 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-methyl-1-propan-2-yl-5-propylbenzene is sourced from PubChem (CID 167096203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).