1-methoxy-4-[1-(2-methylphenyl)prop-2-enoxymethyl]benzene

C18H20O2 — CID 19986996

IUPAC1-methoxy-4-[1-(2-methylphenyl)prop-2-enoxymethyl]benzene
SMILESC=CC(OCc1ccc(OC)cc1)c1ccccc1C
InChIInChI=1S/C18H20O2/c1-4-18(17-8-6-5-7-14(17)2)20-13-15-9-11-16(19-3)12-10-15/h4-12,18H,1,13H2,2-3H3
InChIKeyRIKORBYHOOFIAD-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.45
Rot. Bonds6

About 1-methoxy-4-[1-(2-methylphenyl)prop-2-enoxymethyl]benzene

1-methoxy-4-[1-(2-methylphenyl)prop-2-enoxymethyl]benzene (PubChem CID 19986996) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-methoxy-4-[1-(2-methylphenyl)prop-2-enoxymethyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[1-(2-methylphenyl)prop-2-enoxymethyl]benzene
PubChem CID19986996
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1-methoxy-4-[1-(2-methylphenyl)prop-2-enoxymethyl]benzene
SMILESC=CC(OCc1ccc(OC)cc1)c1ccccc1C
InChIInChI=1S/C18H20O2/c1-4-18(17-8-6-5-7-14(17)2)20-13-15-9-11-16(19-3)12-10-15/h4-12,18H,1,13H2,2-3H3
InChIKeyRIKORBYHOOFIAD-UHFFFAOYSA-N
XLogP4.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[1-(2-methylsulfanylphenyl)prop-2-enoxymethyl]benzene
CID 19986992
1-[[(3S)-4,4-dimethylpent-1-en-3-yl]oxymethyl]-4-methoxybenzene
CID 173117366
(2R,3S)-3-[(4-methoxyphenyl)methoxy]pent-4-ene-1,2-diol
CID 102381132
(3S,4R,5S)-4-benzyl-5-[(4-methoxyphenyl)methoxy]hex-1-en-3-ol
CID 118194675
1-(4-methoxyphenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]propan-2-amine
CID 81354714
1-[[bis[(4-methoxyphenyl)methoxy]methoxy-[(4-methoxyphenyl)methoxy]methoxy]methyl]-4-methoxybenzene
CID 66849270
(2R)-2-[(4-methoxyphenyl)methoxy]pent-4-en-1-ol
CID 11673005
2-[(4-methoxyphenyl)methoxy]-3,5-bis(phenylmethoxy)hept-6-ene-1,4-diol
CID 72976602
1-(1-bromoethoxymethyl)-4-methoxybenzene
CID 56989997
(5R)-5-[(4-methoxyphenyl)methoxy]hept-6-enal
CID 71665399
N-ethyl-3-(4-methoxyphenyl)-1-(2-methylphenyl)propan-1-amine
CID 65444570
(2R)-2-[(4-methoxyphenyl)methoxy]propanal
CID 11138009

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[1-(2-methylphenyl)prop-2-enoxymethyl]benzene?
The IUPAC name of 1-methoxy-4-[1-(2-methylphenyl)prop-2-enoxymethyl]benzene (CID 19986996) is 1-methoxy-4-[1-(2-methylphenyl)prop-2-enoxymethyl]benzene.
What is the SMILES notation for 1-methoxy-4-[1-(2-methylphenyl)prop-2-enoxymethyl]benzene?
The canonical SMILES for 1-methoxy-4-[1-(2-methylphenyl)prop-2-enoxymethyl]benzene is C=CC(OCc1ccc(OC)cc1)c1ccccc1C.
What is the InChIKey of 1-methoxy-4-[1-(2-methylphenyl)prop-2-enoxymethyl]benzene?
The InChIKey is RIKORBYHOOFIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-4-18(17-8-6-5-7-14(17)2)20-13-15-9-11-16(19-3)12-10-15/h4-12,18H,1,13H2,2-3H3.
What are the key properties of 1-methoxy-4-[1-(2-methylphenyl)prop-2-enoxymethyl]benzene?
1-methoxy-4-[1-(2-methylphenyl)prop-2-enoxymethyl]benzene has a molecular weight of 268.36 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[1-(2-methylphenyl)prop-2-enoxymethyl]benzene is sourced from PubChem (CID 19986996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).