1-methyl-4-[(E)-2-methyl-4-phenylbut-3-en-2-yl]oxybenzene

C18H20O — CID 54576385

IUPAC1-methyl-4-[(E)-2-methyl-4-phenylbut-3-en-2-yl]oxybenzene
SMILESCc1ccc(OC(C)(C)/C=C/c2ccccc2)cc1
InChIInChI=1S/C18H20O/c1-15-9-11-17(12-10-15)19-18(2,3)14-13-16-7-5-4-6-8-16/h4-14H,1-3H3/b14-13+
InChIKeyFPSOIQZHVLHQFX-BUHFOSPRSA-N
MW252.36 g/mol
LogP4.87
Rot. Bonds4

About 1-methyl-4-[(E)-2-methyl-4-phenylbut-3-en-2-yl]oxybenzene

1-methyl-4-[(E)-2-methyl-4-phenylbut-3-en-2-yl]oxybenzene (PubChem CID 54576385) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-methyl-4-[(E)-2-methyl-4-phenylbut-3-en-2-yl]oxybenzene.

Molecular Properties

Compound Name1-methyl-4-[(E)-2-methyl-4-phenylbut-3-en-2-yl]oxybenzene
PubChem CID54576385
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name1-methyl-4-[(E)-2-methyl-4-phenylbut-3-en-2-yl]oxybenzene
SMILESCc1ccc(OC(C)(C)/C=C/c2ccccc2)cc1
InChIInChI=1S/C18H20O/c1-15-9-11-17(12-10-15)19-18(2,3)14-13-16-7-5-4-6-8-16/h4-14H,1-3H3/b14-13+
InChIKeyFPSOIQZHVLHQFX-BUHFOSPRSA-N
XLogP4.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-(2-methylbut-3-en-2-yloxy)benzene
CID 578552
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
ethenoxyethene;1-methyl-4-(2-phenylethenyl)benzene
CID 175119334
3,3-dimethylbut-1-enylbenzene;1,2-xylene
CID 173385889
1-(2-phenylethenyl)-4-(trifluoromethoxy)benzene
CID 138115533
(Z)-3-methyl-1-phenylpent-1-en-3-ol
CID 20841410
ethyl 3-hydroxy-3-methyl-5-phenylpent-4-enoate
CID 66650377
1-ethenyl-4-methylbenzene;styrene
CID 159659441
2-methyl-4-phenylbut-3-ene-2-sulfonamide
CID 174855476
benzaldehyde;1-methoxy-4-methylbenzene
CID 142165597
1-methyl-4-(2-methylpent-4-en-2-yloxy)benzene
CID 123423691
2-methyl-4-(4-phenylmethoxyphenyl)but-3-en-2-amine
CID 123614414

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(E)-2-methyl-4-phenylbut-3-en-2-yl]oxybenzene?
The IUPAC name of 1-methyl-4-[(E)-2-methyl-4-phenylbut-3-en-2-yl]oxybenzene (CID 54576385) is 1-methyl-4-[(E)-2-methyl-4-phenylbut-3-en-2-yl]oxybenzene.
What is the SMILES notation for 1-methyl-4-[(E)-2-methyl-4-phenylbut-3-en-2-yl]oxybenzene?
The canonical SMILES for 1-methyl-4-[(E)-2-methyl-4-phenylbut-3-en-2-yl]oxybenzene is Cc1ccc(OC(C)(C)/C=C/c2ccccc2)cc1.
What is the InChIKey of 1-methyl-4-[(E)-2-methyl-4-phenylbut-3-en-2-yl]oxybenzene?
The InChIKey is FPSOIQZHVLHQFX-BUHFOSPRSA-N. The full InChI is InChI=1S/C18H20O/c1-15-9-11-17(12-10-15)19-18(2,3)14-13-16-7-5-4-6-8-16/h4-14H,1-3H3/b14-13+.
What are the key properties of 1-methyl-4-[(E)-2-methyl-4-phenylbut-3-en-2-yl]oxybenzene?
1-methyl-4-[(E)-2-methyl-4-phenylbut-3-en-2-yl]oxybenzene has a molecular weight of 252.36 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(E)-2-methyl-4-phenylbut-3-en-2-yl]oxybenzene is sourced from PubChem (CID 54576385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).