1,3-dimethoxy-2-phenylbenzene;hydrochloride

C14H15ClO2 — CID 175871248

IUPAC1,3-dimethoxy-2-phenylbenzene;hydrochloride
SMILESCOc1cccc(OC)c1-c1ccccc1.Cl
InChIInChI=1S/C14H14O2.ClH/c1-15-12-9-6-10-13(16-2)14(12)11-7-4-3-5-8-11;/h3-10H,1-2H3;1H
InChIKeyZUIUGDRYTHLOKX-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.79
Rot. Bonds3

About 1,3-dimethoxy-2-phenylbenzene;hydrochloride

1,3-dimethoxy-2-phenylbenzene;hydrochloride (PubChem CID 175871248) has the molecular formula C14H15ClO2 and a molecular weight of 250.73 g/mol. Its IUPAC name is 1,3-dimethoxy-2-phenylbenzene;hydrochloride.

Molecular Properties

Compound Name1,3-dimethoxy-2-phenylbenzene;hydrochloride
PubChem CID175871248
Molecular FormulaC14H15ClO2
Molecular Weight250.73 g/mol
Exact Mass250.08
IUPAC Name1,3-dimethoxy-2-phenylbenzene;hydrochloride
SMILESCOc1cccc(OC)c1-c1ccccc1.Cl
InChIInChI=1S/C14H14O2.ClH/c1-15-12-9-6-10-13(16-2)14(12)11-7-4-3-5-8-11;/h3-10H,1-2H3;1H
InChIKeyZUIUGDRYTHLOKX-UHFFFAOYSA-N
XLogP3.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-2-phenylbenzene;hydrochloride?
The IUPAC name of 1,3-dimethoxy-2-phenylbenzene;hydrochloride (CID 175871248) is 1,3-dimethoxy-2-phenylbenzene;hydrochloride.
What is the SMILES notation for 1,3-dimethoxy-2-phenylbenzene;hydrochloride?
The canonical SMILES for 1,3-dimethoxy-2-phenylbenzene;hydrochloride is COc1cccc(OC)c1-c1ccccc1.Cl.
What is the InChIKey of 1,3-dimethoxy-2-phenylbenzene;hydrochloride?
The InChIKey is ZUIUGDRYTHLOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2.ClH/c1-15-12-9-6-10-13(16-2)14(12)11-7-4-3-5-8-11;/h3-10H,1-2H3;1H.
What are the key properties of 1,3-dimethoxy-2-phenylbenzene;hydrochloride?
1,3-dimethoxy-2-phenylbenzene;hydrochloride has a molecular weight of 250.73 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-2-phenylbenzene;hydrochloride is sourced from PubChem (CID 175871248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).