1,3-dimethoxybenzene;1,4-dimethoxybenzene

C16H20O4 — CID 91359455

IUPAC1,3-dimethoxybenzene;1,4-dimethoxybenzene
SMILESCOc1ccc(OC)cc1.COc1cccc(OC)c1
InChIInChI=1S/2C8H10O2/c1-9-7-3-5-8(10-2)6-4-7;1-9-7-4-3-5-8(6-7)10-2/h2*3-6H,1-2H3
InChIKeyGMDAODGCWAPRJE-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.41
Rot. Bonds4

About 1,3-dimethoxybenzene;1,4-dimethoxybenzene

1,3-dimethoxybenzene;1,4-dimethoxybenzene (PubChem CID 91359455) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is 1,3-dimethoxybenzene;1,4-dimethoxybenzene.

Molecular Properties

Compound Name1,3-dimethoxybenzene;1,4-dimethoxybenzene
PubChem CID91359455
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name1,3-dimethoxybenzene;1,4-dimethoxybenzene
SMILESCOc1ccc(OC)cc1.COc1cccc(OC)c1
InChIInChI=1S/2C8H10O2/c1-9-7-3-5-8(10-2)6-4-7;1-9-7-4-3-5-8(6-7)10-2/h2*3-6H,1-2H3
InChIKeyGMDAODGCWAPRJE-UHFFFAOYSA-N
XLogP3.41
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azane;1,3-dimethoxybenzene
CID 70210283
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
CID 172849383
CID 172849383
carbanide;1,3-dimethoxybenzene;rubidium(1+)
CID 160752391
calcium;1,3-dimethoxybenzene;hydride
CID 174808068
1,3-bis(4-methoxyphenoxy)benzene
CID 629519
1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
CID 139245906
CID 139245906
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxybenzene;1,4-dimethoxybenzene?
The IUPAC name of 1,3-dimethoxybenzene;1,4-dimethoxybenzene (CID 91359455) is 1,3-dimethoxybenzene;1,4-dimethoxybenzene.
What is the SMILES notation for 1,3-dimethoxybenzene;1,4-dimethoxybenzene?
The canonical SMILES for 1,3-dimethoxybenzene;1,4-dimethoxybenzene is COc1ccc(OC)cc1.COc1cccc(OC)c1.
What is the InChIKey of 1,3-dimethoxybenzene;1,4-dimethoxybenzene?
The InChIKey is GMDAODGCWAPRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H10O2/c1-9-7-3-5-8(10-2)6-4-7;1-9-7-4-3-5-8(6-7)10-2/h2*3-6H,1-2H3.
What are the key properties of 1,3-dimethoxybenzene;1,4-dimethoxybenzene?
1,3-dimethoxybenzene;1,4-dimethoxybenzene has a molecular weight of 276.33 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxybenzene;1,4-dimethoxybenzene is sourced from PubChem (CID 91359455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).