1-but-3-en-2-yl-4-methoxy-5-methyl-2-phenylmethoxybenzene

C19H22O2 — CID 163960697

IUPAC1-but-3-en-2-yl-4-methoxy-5-methyl-2-phenylmethoxybenzene
SMILESC=CC(C)c1cc(C)c(OC)cc1OCc1ccccc1
InChIInChI=1S/C19H22O2/c1-5-14(2)17-11-15(3)18(20-4)12-19(17)21-13-16-9-7-6-8-10-16/h5-12,14H,1,13H2,2-4H3
InChIKeySHDQFAHCLHVZHP-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.87
Rot. Bonds6

About 1-but-3-en-2-yl-4-methoxy-5-methyl-2-phenylmethoxybenzene

1-but-3-en-2-yl-4-methoxy-5-methyl-2-phenylmethoxybenzene (PubChem CID 163960697) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-but-3-en-2-yl-4-methoxy-5-methyl-2-phenylmethoxybenzene.

Molecular Properties

Compound Name1-but-3-en-2-yl-4-methoxy-5-methyl-2-phenylmethoxybenzene
PubChem CID163960697
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name1-but-3-en-2-yl-4-methoxy-5-methyl-2-phenylmethoxybenzene
SMILESC=CC(C)c1cc(C)c(OC)cc1OCc1ccccc1
InChIInChI=1S/C19H22O2/c1-5-14(2)17-11-15(3)18(20-4)12-19(17)21-13-16-9-7-6-8-10-16/h5-12,14H,1,13H2,2-4H3
InChIKeySHDQFAHCLHVZHP-UHFFFAOYSA-N
XLogP4.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.87
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-butan-2-yl-4,5-dimethoxy-2-phenylmethoxybenzene
CID 10804189
1-[(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)prop-2-enyl]piperazine
CID 171282960
(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 171214318
(1R,2S)-1-amino-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-2-ol
CID 171265334
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-4-methylpentan-1-amine
CID 171214368
azane;4-methoxy-2-methyl-1-phenylmethoxybenzene;hydrochloride
CID 174629169
2-methoxy-4-methyl-5-phenylmethoxybenzaldehyde
CID 71394668
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171214367
(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-en-1-amine
CID 171232603
4-methoxy-2-phenylmethoxy-1-prop-2-enylbenzene
CID 68966556
1-methyl-5-(2-methylbut-3-en-2-yloxy)-4-pent-4-en-2-yl-2-phenylmethoxybenzene
CID 24895083
(1S)-2-cyclopropyl-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171233973

Frequently Asked Questions

What is the IUPAC name of 1-but-3-en-2-yl-4-methoxy-5-methyl-2-phenylmethoxybenzene?
The IUPAC name of 1-but-3-en-2-yl-4-methoxy-5-methyl-2-phenylmethoxybenzene (CID 163960697) is 1-but-3-en-2-yl-4-methoxy-5-methyl-2-phenylmethoxybenzene.
What is the SMILES notation for 1-but-3-en-2-yl-4-methoxy-5-methyl-2-phenylmethoxybenzene?
The canonical SMILES for 1-but-3-en-2-yl-4-methoxy-5-methyl-2-phenylmethoxybenzene is C=CC(C)c1cc(C)c(OC)cc1OCc1ccccc1.
What is the InChIKey of 1-but-3-en-2-yl-4-methoxy-5-methyl-2-phenylmethoxybenzene?
The InChIKey is SHDQFAHCLHVZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-5-14(2)17-11-15(3)18(20-4)12-19(17)21-13-16-9-7-6-8-10-16/h5-12,14H,1,13H2,2-4H3.
What are the key properties of 1-but-3-en-2-yl-4-methoxy-5-methyl-2-phenylmethoxybenzene?
1-but-3-en-2-yl-4-methoxy-5-methyl-2-phenylmethoxybenzene has a molecular weight of 282.38 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-en-2-yl-4-methoxy-5-methyl-2-phenylmethoxybenzene is sourced from PubChem (CID 163960697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).