1-(3-methylbut-2-en-2-yl)-4-phenylmethoxybenzene

C18H20O — CID 174702453

IUPAC1-(3-methylbut-2-en-2-yl)-4-phenylmethoxybenzene
SMILESCC(C)=C(C)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H20O/c1-14(2)15(3)17-9-11-18(12-10-17)19-13-16-7-5-4-6-8-16/h4-12H,13H2,1-3H3
InChIKeyHAVIWQGCQCBPDQ-UHFFFAOYSA-N
MW252.36 g/mol
LogP5.08
Rot. Bonds4

About 1-(3-methylbut-2-en-2-yl)-4-phenylmethoxybenzene

1-(3-methylbut-2-en-2-yl)-4-phenylmethoxybenzene (PubChem CID 174702453) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(3-methylbut-2-en-2-yl)-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-(3-methylbut-2-en-2-yl)-4-phenylmethoxybenzene
PubChem CID174702453
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name1-(3-methylbut-2-en-2-yl)-4-phenylmethoxybenzene
SMILESCC(C)=C(C)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H20O/c1-14(2)15(3)17-9-11-18(12-10-17)19-13-16-7-5-4-6-8-16/h4-12H,13H2,1-3H3
InChIKeyHAVIWQGCQCBPDQ-UHFFFAOYSA-N
XLogP5.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.36
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-3-(4-phenylmethoxyphenyl)but-2-enoic acid
CID 79736838
4-phenylmethoxybenzoic acid
CID 68896574
(Z)-2-isocyano-3-(4-phenylmethoxyphenyl)but-2-enenitrile
CID 59447576
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
(E)-N-phenoxy-1-(4-phenylmethoxyphenyl)ethanimine
CID 177429054
4-phenylmethoxybenzoyl fluoride
CID 154719359
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168
N-methyl-4-phenylmethoxybenzamide
CID 2996745
2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one
CID 14125672
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
1-(3-methylbut-2-enoxy)-4-phenylmethoxybenzene
CID 132530536
acetamido 4-phenylmethoxybenzoate
CID 174287466

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-en-2-yl)-4-phenylmethoxybenzene?
The IUPAC name of 1-(3-methylbut-2-en-2-yl)-4-phenylmethoxybenzene (CID 174702453) is 1-(3-methylbut-2-en-2-yl)-4-phenylmethoxybenzene.
What is the SMILES notation for 1-(3-methylbut-2-en-2-yl)-4-phenylmethoxybenzene?
The canonical SMILES for 1-(3-methylbut-2-en-2-yl)-4-phenylmethoxybenzene is CC(C)=C(C)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-(3-methylbut-2-en-2-yl)-4-phenylmethoxybenzene?
The InChIKey is HAVIWQGCQCBPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-14(2)15(3)17-9-11-18(12-10-17)19-13-16-7-5-4-6-8-16/h4-12H,13H2,1-3H3.
What are the key properties of 1-(3-methylbut-2-en-2-yl)-4-phenylmethoxybenzene?
1-(3-methylbut-2-en-2-yl)-4-phenylmethoxybenzene has a molecular weight of 252.36 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-en-2-yl)-4-phenylmethoxybenzene is sourced from PubChem (CID 174702453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).