1-chloro-2-ethyl-4-methoxy-5-propan-2-ylbenzene;ethane

C14H23ClO — CID 145466596

IUPAC1-chloro-2-ethyl-4-methoxy-5-propan-2-ylbenzene;ethane
SMILESCC.CCc1cc(OC)c(C(C)C)cc1Cl
InChIInChI=1S/C12H17ClO.C2H6/c1-5-9-6-12(14-4)10(8(2)3)7-11(9)13;1-2/h6-8H,5H2,1-4H3;1-2H3
InChIKeyHHTJDDJMPXLCCP-UHFFFAOYSA-N
MW242.79 g/mol
LogP5.06
Rot. Bonds3

About 1-chloro-2-ethyl-4-methoxy-5-propan-2-ylbenzene;ethane

1-chloro-2-ethyl-4-methoxy-5-propan-2-ylbenzene;ethane (PubChem CID 145466596) has the molecular formula C14H23ClO and a molecular weight of 242.79 g/mol. Its IUPAC name is 1-chloro-2-ethyl-4-methoxy-5-propan-2-ylbenzene;ethane.

Molecular Properties

Compound Name1-chloro-2-ethyl-4-methoxy-5-propan-2-ylbenzene;ethane
PubChem CID145466596
Molecular FormulaC14H23ClO
Molecular Weight242.79 g/mol
Exact Mass242.14
IUPAC Name1-chloro-2-ethyl-4-methoxy-5-propan-2-ylbenzene;ethane
SMILESCC.CCc1cc(OC)c(C(C)C)cc1Cl
InChIInChI=1S/C12H17ClO.C2H6/c1-5-9-6-12(14-4)10(8(2)3)7-11(9)13;1-2/h6-8H,5H2,1-4H3;1-2H3
InChIKeyHHTJDDJMPXLCCP-UHFFFAOYSA-N
XLogP5.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.79
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-chloro-2-ethyl-4-methoxy-5-propan-2-ylbenzene;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-4-ethyl-2,5-dimethoxybenzene
CID 71132798
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
1-ethyl-7-methoxy-6-propan-2-ylnaphthalene
CID 14828144
(2,4-dimethoxy-5-propan-2-ylphenyl)methanesulfonyl chloride
CID 117472731
(4,5-dimethoxy-2-propan-2-ylphenyl)methanesulfonyl chloride
CID 117472732
3-ethyl-7-methoxy-6-propan-2-yl-1H-quinolin-2-one
CID 154974543
1-ethyl-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene
CID 172620672
(5-chloro-2-ethyl-4-methoxyphenyl)methanol
CID 84669748
ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene
CID 166091157
1-(5-chloro-2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 117398229
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]butan-2-amine
CID 54855338
ethane;1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene
CID 144562754

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-ethyl-4-methoxy-5-propan-2-ylbenzene;ethane?
The IUPAC name of 1-chloro-2-ethyl-4-methoxy-5-propan-2-ylbenzene;ethane (CID 145466596) is 1-chloro-2-ethyl-4-methoxy-5-propan-2-ylbenzene;ethane.
What is the SMILES notation for 1-chloro-2-ethyl-4-methoxy-5-propan-2-ylbenzene;ethane?
The canonical SMILES for 1-chloro-2-ethyl-4-methoxy-5-propan-2-ylbenzene;ethane is CC.CCc1cc(OC)c(C(C)C)cc1Cl.
What is the InChIKey of 1-chloro-2-ethyl-4-methoxy-5-propan-2-ylbenzene;ethane?
The InChIKey is HHTJDDJMPXLCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO.C2H6/c1-5-9-6-12(14-4)10(8(2)3)7-11(9)13;1-2/h6-8H,5H2,1-4H3;1-2H3.
What are the key properties of 1-chloro-2-ethyl-4-methoxy-5-propan-2-ylbenzene;ethane?
1-chloro-2-ethyl-4-methoxy-5-propan-2-ylbenzene;ethane has a molecular weight of 242.79 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-ethyl-4-methoxy-5-propan-2-ylbenzene;ethane is sourced from PubChem (CID 145466596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).