5-chloro-1-ethyl-3-methoxy-2-methylbenzene

C10H13ClO — CID 157390300

IUPAC5-chloro-1-ethyl-3-methoxy-2-methylbenzene
SMILESCCc1cc(Cl)cc(OC)c1C
InChIInChI=1S/C10H13ClO/c1-4-8-5-9(11)6-10(12-3)7(8)2/h5-6H,4H2,1-3H3
InChIKeyBLXSVJRONDNUCQ-UHFFFAOYSA-N
MW184.67 g/mol
LogP3.22
Rot. Bonds2

About 5-chloro-1-ethyl-3-methoxy-2-methylbenzene

5-chloro-1-ethyl-3-methoxy-2-methylbenzene (PubChem CID 157390300) has the molecular formula C10H13ClO and a molecular weight of 184.67 g/mol. Its IUPAC name is 5-chloro-1-ethyl-3-methoxy-2-methylbenzene.

Molecular Properties

Compound Name5-chloro-1-ethyl-3-methoxy-2-methylbenzene
PubChem CID157390300
Molecular FormulaC10H13ClO
Molecular Weight184.67 g/mol
Exact Mass184.07
IUPAC Name5-chloro-1-ethyl-3-methoxy-2-methylbenzene
SMILESCCc1cc(Cl)cc(OC)c1C
InChIInChI=1S/C10H13ClO/c1-4-8-5-9(11)6-10(12-3)7(8)2/h5-6H,4H2,1-3H3
InChIKeyBLXSVJRONDNUCQ-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,5-dichloro-3-methoxy-2-methylbenzene
CID 23462582
4-[(5-chloro-3-methoxy-2-methylphenyl)methyl]piperidine
CID 117387723
5-chloro-3-methoxy-2-methylaniline
CID 97179579
(5-chloro-3-ethyl-2-methoxyphenyl)phosphane
CID 142101436
1,5-dichloro-3-ethyl-2-methoxybenzene
CID 71215672
2-(2,5-dichloro-3-methoxyphenyl)acetic acid
CID 54236856
ethyl 2-amino-3-(5-chloro-2-hydroxy-3-methoxyphenyl)propanoate
CID 112694609
4-ethyl-6-methoxy-3-methylbenzene-1,2-diamine
CID 135124005
3-amino-1-(5-chloro-3-methoxy-2-methylphenyl)propan-1-one
CID 117327645
1-(5-chloro-2-ethyl-3-methoxyphenyl)-2-methylpropan-2-amine
CID 117356696
1-chloro-4-ethyl-2,5-dimethoxybenzene
CID 71132798
5-chloro-1-(chloromethyl)-2-iodo-3-methoxybenzene
CID 171002615

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-ethyl-3-methoxy-2-methylbenzene?
The IUPAC name of 5-chloro-1-ethyl-3-methoxy-2-methylbenzene (CID 157390300) is 5-chloro-1-ethyl-3-methoxy-2-methylbenzene.
What is the SMILES notation for 5-chloro-1-ethyl-3-methoxy-2-methylbenzene?
The canonical SMILES for 5-chloro-1-ethyl-3-methoxy-2-methylbenzene is CCc1cc(Cl)cc(OC)c1C.
What is the InChIKey of 5-chloro-1-ethyl-3-methoxy-2-methylbenzene?
The InChIKey is BLXSVJRONDNUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO/c1-4-8-5-9(11)6-10(12-3)7(8)2/h5-6H,4H2,1-3H3.
What are the key properties of 5-chloro-1-ethyl-3-methoxy-2-methylbenzene?
5-chloro-1-ethyl-3-methoxy-2-methylbenzene has a molecular weight of 184.67 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-ethyl-3-methoxy-2-methylbenzene is sourced from PubChem (CID 157390300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).