1-methoxy-2-prop-1-en-2-ylbenzene

C10H12O — CID 517803

IUPAC1-methoxy-2-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccccc1OC
InChIInChI=1S/C10H12O/c1-8(2)9-6-4-5-7-10(9)11-3/h4-7H,1H2,2-3H3
InChIKeyMERMDWYLTGRJPN-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.73
Rot. Bonds2

About 1-methoxy-2-prop-1-en-2-ylbenzene

1-methoxy-2-prop-1-en-2-ylbenzene (PubChem CID 517803) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 1-methoxy-2-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-methoxy-2-prop-1-en-2-ylbenzene
PubChem CID517803
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name1-methoxy-2-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccccc1OC
InChIInChI=1S/C10H12O/c1-8(2)9-6-4-5-7-10(9)11-3/h4-7H,1H2,2-3H3
InChIKeyMERMDWYLTGRJPN-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-prop-1-en-2-ylbenzene?
The IUPAC name of 1-methoxy-2-prop-1-en-2-ylbenzene (CID 517803) is 1-methoxy-2-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-methoxy-2-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-methoxy-2-prop-1-en-2-ylbenzene is C=C(C)c1ccccc1OC.
What is the InChIKey of 1-methoxy-2-prop-1-en-2-ylbenzene?
The InChIKey is MERMDWYLTGRJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-8(2)9-6-4-5-7-10(9)11-3/h4-7H,1H2,2-3H3.
What are the key properties of 1-methoxy-2-prop-1-en-2-ylbenzene?
1-methoxy-2-prop-1-en-2-ylbenzene has a molecular weight of 148.20 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-prop-1-en-2-ylbenzene is sourced from PubChem (CID 517803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).