1-methoxy-4-[(1R)-1-phenylprop-2-enyl]benzene

C16H16O — CID 102287060

IUPAC1-methoxy-4-[(1R)-1-phenylprop-2-enyl]benzene
SMILESC=C[C@H](c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C16H16O/c1-3-16(13-7-5-4-6-8-13)14-9-11-15(17-2)12-10-14/h3-12,16H,1H2,2H3/t16-/m1/s1
InChIKeyOBRWRZAGZLLJOR-MRXNPFEDSA-N
MW224.30 g/mol
LogP4.01
Rot. Bonds4

About 1-methoxy-4-[(1R)-1-phenylprop-2-enyl]benzene

1-methoxy-4-[(1R)-1-phenylprop-2-enyl]benzene (PubChem CID 102287060) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-methoxy-4-[(1R)-1-phenylprop-2-enyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(1R)-1-phenylprop-2-enyl]benzene
PubChem CID102287060
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name1-methoxy-4-[(1R)-1-phenylprop-2-enyl]benzene
SMILESC=C[C@H](c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C16H16O/c1-3-16(13-7-5-4-6-8-13)14-9-11-15(17-2)12-10-14/h3-12,16H,1H2,2H3/t16-/m1/s1
InChIKeyOBRWRZAGZLLJOR-MRXNPFEDSA-N
XLogP4.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 54.01
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

1-ethoxy-4-(1-phenylprop-2-enyl)benzene
CID 57277088
(1R,2S)-2-(4-methoxyphenyl)-1-phenylbut-3-en-1-ol
CID 134903492
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
N-[(4-methoxyphenyl)-phenylmethyl]but-3-en-2-amine
CID 115972576
N,N-dimethyl-2-[4-(1-phenylprop-2-enyl)phenoxy]ethanamine
CID 143961107
5-[1-(4-methoxyphenyl)prop-2-enyl]-1,3-benzodioxole
CID 141140455
(S)-N-[(1S,2S)-1-(4-methoxyphenyl)-2-phenylbut-3-enyl]-2-methylpropane-2-sulfinamide
CID 134941098
1-methoxy-4-(1-methoxyprop-2-enyl)benzene
CID 14594939
1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
CID 10912530
[4-(4-methoxyphenyl)phenyl]-phenylmethanol
CID 141264274
1-fluoro-4-[(4-methoxyphenyl)-phenylmethyl]benzene
CID 132919259
methyl 2-[(S)-hydroxy-(4-methoxyphenyl)methyl]-3-phenylpent-4-enoate
CID 59927754

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(1R)-1-phenylprop-2-enyl]benzene?
The IUPAC name of 1-methoxy-4-[(1R)-1-phenylprop-2-enyl]benzene (CID 102287060) is 1-methoxy-4-[(1R)-1-phenylprop-2-enyl]benzene.
What is the SMILES notation for 1-methoxy-4-[(1R)-1-phenylprop-2-enyl]benzene?
The canonical SMILES for 1-methoxy-4-[(1R)-1-phenylprop-2-enyl]benzene is C=C[C@H](c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-[(1R)-1-phenylprop-2-enyl]benzene?
The InChIKey is OBRWRZAGZLLJOR-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H16O/c1-3-16(13-7-5-4-6-8-13)14-9-11-15(17-2)12-10-14/h3-12,16H,1H2,2H3/t16-/m1/s1.
What are the key properties of 1-methoxy-4-[(1R)-1-phenylprop-2-enyl]benzene?
1-methoxy-4-[(1R)-1-phenylprop-2-enyl]benzene has a molecular weight of 224.30 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(1R)-1-phenylprop-2-enyl]benzene is sourced from PubChem (CID 102287060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).