1,3-dimethoxy-5-phenylbenzene

C14H14O2 — CID 11469945

IUPAC1,3-dimethoxy-5-phenylbenzene
SMILESCOc1cc(OC)cc(-c2ccccc2)c1
InChIInChI=1S/C14H14O2/c1-15-13-8-12(9-14(10-13)16-2)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyCQWCDYBZNSNECQ-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.37
Rot. Bonds3

About 1,3-dimethoxy-5-phenylbenzene

1,3-dimethoxy-5-phenylbenzene (PubChem CID 11469945) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1,3-dimethoxy-5-phenylbenzene.

Molecular Properties

Compound Name1,3-dimethoxy-5-phenylbenzene
PubChem CID11469945
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name1,3-dimethoxy-5-phenylbenzene
SMILESCOc1cc(OC)cc(-c2ccccc2)c1
InChIInChI=1S/C14H14O2/c1-15-13-8-12(9-14(10-13)16-2)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyCQWCDYBZNSNECQ-UHFFFAOYSA-N
XLogP3.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3,5-dimethoxyphenyl)phenyl]-3,5-dimethoxybenzene
CID 139197183
1,4-bis(3,5-dimethoxyphenyl)-2,3,5,6-tetraphenylbenzene
CID 102293642
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
2-(3-methoxyphenyl)-4,6-diphenylphosphinine
CID 102303596
methyl 3-methoxy-5-phenylbenzoate
CID 71086676
anisole;1,1'-biphenyl;naphthalene
CID 161250692
9,10-bis(3,5-dimethoxyphenyl)anthracene
CID 11961931
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
1-[2-[2-[2-(3,5-dimethoxyphenyl)phenyl]ethynyl]phenyl]-3,5-dimethoxybenzene
CID 23727303
1-methoxy-4-phenylbenzene cyanide
CID 159561637
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
2-methoxy-6-phenylnaphthalene
CID 11253308

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-phenylbenzene?
The IUPAC name of 1,3-dimethoxy-5-phenylbenzene (CID 11469945) is 1,3-dimethoxy-5-phenylbenzene.
What is the SMILES notation for 1,3-dimethoxy-5-phenylbenzene?
The canonical SMILES for 1,3-dimethoxy-5-phenylbenzene is COc1cc(OC)cc(-c2ccccc2)c1.
What is the InChIKey of 1,3-dimethoxy-5-phenylbenzene?
The InChIKey is CQWCDYBZNSNECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-15-13-8-12(9-14(10-13)16-2)11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of 1,3-dimethoxy-5-phenylbenzene?
1,3-dimethoxy-5-phenylbenzene has a molecular weight of 214.26 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-5-phenylbenzene is sourced from PubChem (CID 11469945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).