1-(3-methylbut-3-enyl)-4-phenylmethoxybenzene

C18H20O — CID 146002662

IUPAC1-(3-methylbut-3-enyl)-4-phenylmethoxybenzene
SMILESC=C(C)CCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H20O/c1-15(2)8-9-16-10-12-18(13-11-16)19-14-17-6-4-3-5-7-17/h3-7,10-13H,1,8-9,14H2,2H3
InChIKeyLLKASFQEDQTAKI-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.77
Rot. Bonds6

About 1-(3-methylbut-3-enyl)-4-phenylmethoxybenzene

1-(3-methylbut-3-enyl)-4-phenylmethoxybenzene (PubChem CID 146002662) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(3-methylbut-3-enyl)-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-(3-methylbut-3-enyl)-4-phenylmethoxybenzene
PubChem CID146002662
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name1-(3-methylbut-3-enyl)-4-phenylmethoxybenzene
SMILESC=C(C)CCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H20O/c1-15(2)8-9-16-10-12-18(13-11-16)19-14-17-6-4-3-5-7-17/h3-7,10-13H,1,8-9,14H2,2H3
InChIKeyLLKASFQEDQTAKI-UHFFFAOYSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.77
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-(4-phenylmethoxyphenyl)pentan-3-one
CID 18798710
1-(3-methoxypropyl)-4-phenylmethoxybenzene
CID 70548198
6-(4-phenylmethoxyphenyl)hexanoic acid
CID 138486172
methyl 3-(4-phenylmethoxyphenyl)propanoate;3-(4-phenylmethoxyphenyl)propanoic acid
CID 161360857
methyl hypoiodite;methyl 3-(4-phenylmethoxyphenyl)propanoate
CID 142194241
1-(3-fluoropropyl)-4-phenylmethoxybenzene
CID 83932928
(2S)-4-(4-phenylmethoxyphenyl)butan-2-ol
CID 93002881
1-(2,4-dimethylpent-4-en-2-yl)-4-phenylmethoxybenzene
CID 146167604
ethyl 2-oxo-4-(4-phenylmethoxyphenyl)butanoate
CID 19903100
(4-phenylmethoxyphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221107
lithium 3-(4-phenylmethoxyphenyl)propan-1-olate
CID 70590872
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-3-enyl)-4-phenylmethoxybenzene?
The IUPAC name of 1-(3-methylbut-3-enyl)-4-phenylmethoxybenzene (CID 146002662) is 1-(3-methylbut-3-enyl)-4-phenylmethoxybenzene.
What is the SMILES notation for 1-(3-methylbut-3-enyl)-4-phenylmethoxybenzene?
The canonical SMILES for 1-(3-methylbut-3-enyl)-4-phenylmethoxybenzene is C=C(C)CCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-(3-methylbut-3-enyl)-4-phenylmethoxybenzene?
The InChIKey is LLKASFQEDQTAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-15(2)8-9-16-10-12-18(13-11-16)19-14-17-6-4-3-5-7-17/h3-7,10-13H,1,8-9,14H2,2H3.
What are the key properties of 1-(3-methylbut-3-enyl)-4-phenylmethoxybenzene?
1-(3-methylbut-3-enyl)-4-phenylmethoxybenzene has a molecular weight of 252.36 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-3-enyl)-4-phenylmethoxybenzene is sourced from PubChem (CID 146002662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).