1-methoxy-2-pent-2-en-2-ylbenzene

C12H16O — CID 71423787

IUPAC1-methoxy-2-pent-2-en-2-ylbenzene
SMILESCCC=C(C)c1ccccc1OC
InChIInChI=1S/C12H16O/c1-4-7-10(2)11-8-5-6-9-12(11)13-3/h5-9H,4H2,1-3H3
InChIKeyNLZBJLRRCVOOQZ-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.51
Rot. Bonds3

About 1-methoxy-2-pent-2-en-2-ylbenzene

1-methoxy-2-pent-2-en-2-ylbenzene (PubChem CID 71423787) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-methoxy-2-pent-2-en-2-ylbenzene.

Molecular Properties

Compound Name1-methoxy-2-pent-2-en-2-ylbenzene
PubChem CID71423787
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name1-methoxy-2-pent-2-en-2-ylbenzene
SMILESCCC=C(C)c1ccccc1OC
InChIInChI=1S/C12H16O/c1-4-7-10(2)11-8-5-6-9-12(11)13-3/h5-9H,4H2,1-3H3
InChIKeyNLZBJLRRCVOOQZ-UHFFFAOYSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methoxy-2-pent-2-en-2-ylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(E)-4-bromobut-2-en-2-yl]-2-methoxybenzene
CID 121221128
1-methoxy-2-[(E)-undec-2-en-2-yl]benzene
CID 101435872
1-methoxy-2-[(E)-1-methoxyprop-1-en-2-yl]benzene
CID 67583154
3-(2-methoxyphenyl)but-2-enal
CID 74217531
1-methoxy-2-[(Z)-pent-2-en-3-yl]benzene
CID 12531508
2-[(E)-pent-2-en-2-yl]benzoic acid
CID 168936583
methyl 2-hydroxy-3-[(Z)-pent-2-en-2-yl]benzoate
CID 143966342
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
1-(5-chloropent-2-en-2-yl)-2-ethoxybenzene
CID 79593117
(E)-N-ethoxy-1-(2-methoxyphenyl)ethanimine
CID 89151360
tert-butyl-[(E)-5-(2-methoxyphenyl)hex-4-enoxy]-diphenylsilane
CID 102031153
1,2-dimethoxybenzene;propanal
CID 174258099

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-pent-2-en-2-ylbenzene?
The IUPAC name of 1-methoxy-2-pent-2-en-2-ylbenzene (CID 71423787) is 1-methoxy-2-pent-2-en-2-ylbenzene.
What is the SMILES notation for 1-methoxy-2-pent-2-en-2-ylbenzene?
The canonical SMILES for 1-methoxy-2-pent-2-en-2-ylbenzene is CCC=C(C)c1ccccc1OC.
What is the InChIKey of 1-methoxy-2-pent-2-en-2-ylbenzene?
The InChIKey is NLZBJLRRCVOOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-4-7-10(2)11-8-5-6-9-12(11)13-3/h5-9H,4H2,1-3H3.
What are the key properties of 1-methoxy-2-pent-2-en-2-ylbenzene?
1-methoxy-2-pent-2-en-2-ylbenzene has a molecular weight of 176.26 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-pent-2-en-2-ylbenzene is sourced from PubChem (CID 71423787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).