1-chloro-4-methoxy-2-methylbenzene;ethane

C10H15ClO — CID 143988962

IUPAC1-chloro-4-methoxy-2-methylbenzene;ethane
SMILESCC.COc1ccc(Cl)c(C)c1
InChIInChI=1S/C8H9ClO.C2H6/c1-6-5-7(10-2)3-4-8(6)9;1-2/h3-5H,1-2H3;1-2H3
InChIKeyGSECLEBCGLNMMW-UHFFFAOYSA-N
MW186.68 g/mol
LogP3.68
Rot. Bonds1

About 1-chloro-4-methoxy-2-methylbenzene;ethane

1-chloro-4-methoxy-2-methylbenzene;ethane (PubChem CID 143988962) has the molecular formula C10H15ClO and a molecular weight of 186.68 g/mol. Its IUPAC name is 1-chloro-4-methoxy-2-methylbenzene;ethane.

Molecular Properties

Compound Name1-chloro-4-methoxy-2-methylbenzene;ethane
PubChem CID143988962
Molecular FormulaC10H15ClO
Molecular Weight186.68 g/mol
Exact Mass186.08
IUPAC Name1-chloro-4-methoxy-2-methylbenzene;ethane
SMILESCC.COc1ccc(Cl)c(C)c1
InChIInChI=1S/C8H9ClO.C2H6/c1-6-5-7(10-2)3-4-8(6)9;1-2/h3-5H,1-2H3;1-2H3
InChIKeyGSECLEBCGLNMMW-UHFFFAOYSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.68
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-4-methoxy-1-methylbenzene
CID 6951757
[2-(4-chloro-3-methylphenoxy)-4-methoxyphenyl]methanamine
CID 81299924
1-chloro-4-(2-methoxyphenoxy)-2-methylbenzene
CID 163498648
(4-chloro-3-methylphenoxy)-trimethylsilane
CID 13432543
ethene;4-methoxy-1,2-dimethylbenzene
CID 145003805
4,5-dichloro-N-(4-methoxy-2-methylphenyl)-2-methylaniline
CID 139788451
ethane;4-methoxy-1,2-dimethylbenzene;5-methoxy-1,2,3-trimethylbenzene
CID 171649028
1-chloro-4-[4-(4-chloro-3-methylphenoxy)but-2-enoxy]-2-methylbenzene
CID 3397879
(4-chloro-3-methylphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221088
dimethyl 2-(4-chloro-3-methylphenoxy)propanedioate
CID 94697757
formaldehyde;4-methoxy-1,2-dimethylbenzene
CID 157089381
ethane;1-ethyl-4-methoxy-2-methylbenzene
CID 142129466

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methoxy-2-methylbenzene;ethane?
The IUPAC name of 1-chloro-4-methoxy-2-methylbenzene;ethane (CID 143988962) is 1-chloro-4-methoxy-2-methylbenzene;ethane.
What is the SMILES notation for 1-chloro-4-methoxy-2-methylbenzene;ethane?
The canonical SMILES for 1-chloro-4-methoxy-2-methylbenzene;ethane is CC.COc1ccc(Cl)c(C)c1.
What is the InChIKey of 1-chloro-4-methoxy-2-methylbenzene;ethane?
The InChIKey is GSECLEBCGLNMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO.C2H6/c1-6-5-7(10-2)3-4-8(6)9;1-2/h3-5H,1-2H3;1-2H3.
What are the key properties of 1-chloro-4-methoxy-2-methylbenzene;ethane?
1-chloro-4-methoxy-2-methylbenzene;ethane has a molecular weight of 186.68 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methoxy-2-methylbenzene;ethane is sourced from PubChem (CID 143988962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).