1-(1-deuterioprop-2-enyl)-4-methoxybenzene

C10H12O — CID 131851779

IUPAC1-(1-deuterioprop-2-enyl)-4-methoxybenzene
SMILES[2H]C(C=C)c1ccc(OC)cc1
InChIInChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3/i4D
InChIKeyZFMSMUAANRJZFM-QYKNYGDISA-N
MW149.21 g/mol
LogP2.42
Rot. Bonds3

About 1-(1-deuterioprop-2-enyl)-4-methoxybenzene

1-(1-deuterioprop-2-enyl)-4-methoxybenzene (PubChem CID 131851779) has the molecular formula C10H12O and a molecular weight of 149.21 g/mol. Its IUPAC name is 1-(1-deuterioprop-2-enyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(1-deuterioprop-2-enyl)-4-methoxybenzene
PubChem CID131851779
Molecular FormulaC10H12O
Molecular Weight149.21 g/mol
Exact Mass149.10
IUPAC Name1-(1-deuterioprop-2-enyl)-4-methoxybenzene
SMILES[2H]C(C=C)c1ccc(OC)cc1
InChIInChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3/i4D
InChIKeyZFMSMUAANRJZFM-QYKNYGDISA-N
XLogP2.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-6-prop-2-enylnaphthalene
CID 55253268
(4-methoxyphenyl)methyl-dimethyl-prop-2-enylazanium iodide
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N-[(4-methoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 17291776
1-methoxy-4-[4-(4-methoxyphenyl)but-2-enyl]benzene
CID 54485845
(4-methoxyphenyl)methyl-[(4-prop-2-enoxyphenyl)methyl]azanium
CID 8636099
1-(4-methoxyphenyl)pent-4-en-2-amine
CID 14608550
1,1-dideuterio-1-(4-methoxyphenyl)-N,N-dimethylmethanamine
CID 122215032
N'-[(4-methoxyphenyl)methyl]prop-2-enimidamide
CID 166085735
N-[(4-methoxyphenyl)methylideneamino]-1-(4-prop-2-enylphenyl)methanimine
CID 54465845
1-[1,1-dideuterio-2-(4-methoxyphenyl)prop-2-enyl]-4-methoxybenzene
CID 101367118
1-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1,4-diazepane
CID 51075596
(2S)-N-[(4-methoxyphenyl)methyl]pent-4-en-2-amine
CID 130367202

Frequently Asked Questions

What is the IUPAC name of 1-(1-deuterioprop-2-enyl)-4-methoxybenzene?
The IUPAC name of 1-(1-deuterioprop-2-enyl)-4-methoxybenzene (CID 131851779) is 1-(1-deuterioprop-2-enyl)-4-methoxybenzene.
What is the SMILES notation for 1-(1-deuterioprop-2-enyl)-4-methoxybenzene?
The canonical SMILES for 1-(1-deuterioprop-2-enyl)-4-methoxybenzene is [2H]C(C=C)c1ccc(OC)cc1.
What is the InChIKey of 1-(1-deuterioprop-2-enyl)-4-methoxybenzene?
The InChIKey is ZFMSMUAANRJZFM-QYKNYGDISA-N. The full InChI is InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3/i4D.
What are the key properties of 1-(1-deuterioprop-2-enyl)-4-methoxybenzene?
1-(1-deuterioprop-2-enyl)-4-methoxybenzene has a molecular weight of 149.21 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-deuterioprop-2-enyl)-4-methoxybenzene is sourced from PubChem (CID 131851779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).