1-methoxy-2-phenylbenzene

C13H12O — CID 6835

IUPAC1-methoxy-2-phenylbenzene
SMILESCOc1ccccc1-c1ccccc1
InChIInChI=1S/C13H12O/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-10H,1H3
InChIKeyNLWCWEGVNJVLAX-UHFFFAOYSA-N
MW184.24 g/mol
LogP3.36
Rot. Bonds2

About 1-methoxy-2-phenylbenzene

1-methoxy-2-phenylbenzene (PubChem CID 6835) has the molecular formula C13H12O and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-methoxy-2-phenylbenzene.

Molecular Properties

Compound Name1-methoxy-2-phenylbenzene
PubChem CID6835
Molecular FormulaC13H12O
Molecular Weight184.24 g/mol
Exact Mass184.09
IUPAC Name1-methoxy-2-phenylbenzene
SMILESCOc1ccccc1-c1ccccc1
InChIInChI=1S/C13H12O/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-10H,1H3
InChIKeyNLWCWEGVNJVLAX-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-phenylbenzene?
The IUPAC name of 1-methoxy-2-phenylbenzene (CID 6835) is 1-methoxy-2-phenylbenzene.
What is the SMILES notation for 1-methoxy-2-phenylbenzene?
The canonical SMILES for 1-methoxy-2-phenylbenzene is COc1ccccc1-c1ccccc1.
What is the InChIKey of 1-methoxy-2-phenylbenzene?
The InChIKey is NLWCWEGVNJVLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-10H,1H3.
What are the key properties of 1-methoxy-2-phenylbenzene?
1-methoxy-2-phenylbenzene has a molecular weight of 184.24 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-phenylbenzene is sourced from PubChem (CID 6835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).