2-methoxy-1-methyl-4-prop-1-en-2-ylbenzene

C11H14O — CID 22768675

IUPAC2-methoxy-1-methyl-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(C)c(OC)c1
InChIInChI=1S/C11H14O/c1-8(2)10-6-5-9(3)11(7-10)12-4/h5-7H,1H2,2-4H3
InChIKeySHZSFIUMTQEXDN-UHFFFAOYSA-N
MW162.23 g/mol
LogP3.04
Rot. Bonds2

About 2-methoxy-1-methyl-4-prop-1-en-2-ylbenzene

2-methoxy-1-methyl-4-prop-1-en-2-ylbenzene (PubChem CID 22768675) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 2-methoxy-1-methyl-4-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name2-methoxy-1-methyl-4-prop-1-en-2-ylbenzene
PubChem CID22768675
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name2-methoxy-1-methyl-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(C)c(OC)c1
InChIInChI=1S/C11H14O/c1-8(2)10-6-5-9(3)11(7-10)12-4/h5-7H,1H2,2-4H3
InChIKeySHZSFIUMTQEXDN-UHFFFAOYSA-N
XLogP3.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Anethole
CID 637563
Methyleugenol
CID 7127
Butylated Hydroxyanisole
CID 8456
Estragole
CID 8815
Carvacryl acetate
CID 80792
4-Methylanisole
CID 7731
3-Methoxytoluene
CID 7530
cis-Anethole
CID 1549040
Thymyl methyl ether
CID 14104
4-Propylanisole
CID 7702
Thymol acetate
CID 68252
2-Methylanisole
CID 33637

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-methyl-4-prop-1-en-2-ylbenzene?
The IUPAC name of 2-methoxy-1-methyl-4-prop-1-en-2-ylbenzene (CID 22768675) is 2-methoxy-1-methyl-4-prop-1-en-2-ylbenzene.
What is the SMILES notation for 2-methoxy-1-methyl-4-prop-1-en-2-ylbenzene?
The canonical SMILES for 2-methoxy-1-methyl-4-prop-1-en-2-ylbenzene is C=C(C)c1ccc(C)c(OC)c1.
What is the InChIKey of 2-methoxy-1-methyl-4-prop-1-en-2-ylbenzene?
The InChIKey is SHZSFIUMTQEXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-8(2)10-6-5-9(3)11(7-10)12-4/h5-7H,1H2,2-4H3.
What are the key properties of 2-methoxy-1-methyl-4-prop-1-en-2-ylbenzene?
2-methoxy-1-methyl-4-prop-1-en-2-ylbenzene has a molecular weight of 162.23 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-methyl-4-prop-1-en-2-ylbenzene is sourced from PubChem (CID 22768675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).