1,2-dichlorobenzene;1-methoxy-4-methylbenzene

C14H14Cl2O — CID 158750380

IUPAC1,2-dichlorobenzene;1-methoxy-4-methylbenzene
SMILESCOc1ccc(C)cc1.Clc1ccccc1Cl
InChIInChI=1S/C8H10O.C6H4Cl2/c1-7-3-5-8(9-2)6-4-7;7-5-3-1-2-4-6(5)8/h3-6H,1-2H3;1-4H
InChIKeyINKCDCVLDDUQRF-UHFFFAOYSA-N
MW269.17 g/mol
LogP5.00
Rot. Bonds1

About 1,2-dichlorobenzene;1-methoxy-4-methylbenzene

1,2-dichlorobenzene;1-methoxy-4-methylbenzene (PubChem CID 158750380) has the molecular formula C14H14Cl2O and a molecular weight of 269.17 g/mol. Its IUPAC name is 1,2-dichlorobenzene;1-methoxy-4-methylbenzene.

Molecular Properties

Compound Name1,2-dichlorobenzene;1-methoxy-4-methylbenzene
PubChem CID158750380
Molecular FormulaC14H14Cl2O
Molecular Weight269.17 g/mol
Exact Mass268.04
IUPAC Name1,2-dichlorobenzene;1-methoxy-4-methylbenzene
SMILESCOc1ccc(C)cc1.Clc1ccccc1Cl
InChIInChI=1S/C8H10O.C6H4Cl2/c1-7-3-5-8(9-2)6-4-7;7-5-3-1-2-4-6(5)8/h3-6H,1-2H3;1-4H
InChIKeyINKCDCVLDDUQRF-UHFFFAOYSA-N
XLogP5.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-2-fluorobenzene;ethane;1-methoxy-4-methylbenzene
CID 177181155
1-(113C)methoxy-4-methylbenzene
CID 166176950
1-chloro-4-methylbenzene;ethane;1-methoxy-4-methylbenzene
CID 145316184
1,4-dimethoxybenzene;ethane;methane;1,4-xylene
CID 161140185
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
1-methoxy-4-methylbenzene;phenol
CID 167630836
1-methoxy-4-methylbenzene;propane
CID 142064987
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
methane;1-methoxy-4-methylbenzene;propane;1,2-xylene
CID 158575939
but-1-yne;1-methoxy-4-methylbenzene;toluene
CID 161112740
(Z)-but-2-ene;1-methoxy-4-methylbenzene
CID 143799535
1-methoxy-4-methylbenzene tritetrafluoroborate
CID 175186018

Frequently Asked Questions

What is the IUPAC name of 1,2-dichlorobenzene;1-methoxy-4-methylbenzene?
The IUPAC name of 1,2-dichlorobenzene;1-methoxy-4-methylbenzene (CID 158750380) is 1,2-dichlorobenzene;1-methoxy-4-methylbenzene.
What is the SMILES notation for 1,2-dichlorobenzene;1-methoxy-4-methylbenzene?
The canonical SMILES for 1,2-dichlorobenzene;1-methoxy-4-methylbenzene is COc1ccc(C)cc1.Clc1ccccc1Cl.
What is the InChIKey of 1,2-dichlorobenzene;1-methoxy-4-methylbenzene?
The InChIKey is INKCDCVLDDUQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C6H4Cl2/c1-7-3-5-8(9-2)6-4-7;7-5-3-1-2-4-6(5)8/h3-6H,1-2H3;1-4H.
What are the key properties of 1,2-dichlorobenzene;1-methoxy-4-methylbenzene?
1,2-dichlorobenzene;1-methoxy-4-methylbenzene has a molecular weight of 269.17 g/mol, XLogP of 5.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichlorobenzene;1-methoxy-4-methylbenzene is sourced from PubChem (CID 158750380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).