1-[(E)-2-phenylethenyl]-4-propan-2-yloxybenzene

C17H18O — CID 168849749

IUPAC1-[(E)-2-phenylethenyl]-4-propan-2-yloxybenzene
SMILESCC(C)Oc1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C17H18O/c1-14(2)18-17-12-10-16(11-13-17)9-8-15-6-4-3-5-7-15/h3-14H,1-2H3/b9-8+
InChIKeyMKJDPSXJHOLPJL-CMDGGOBGSA-N
MW238.33 g/mol
LogP4.64
Rot. Bonds4

About 1-[(E)-2-phenylethenyl]-4-propan-2-yloxybenzene

1-[(E)-2-phenylethenyl]-4-propan-2-yloxybenzene (PubChem CID 168849749) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[(E)-2-phenylethenyl]-4-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-[(E)-2-phenylethenyl]-4-propan-2-yloxybenzene
PubChem CID168849749
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name1-[(E)-2-phenylethenyl]-4-propan-2-yloxybenzene
SMILESCC(C)Oc1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C17H18O/c1-14(2)18-17-12-10-16(11-13-17)9-8-15-6-4-3-5-7-15/h3-14H,1-2H3/b9-8+
InChIKeyMKJDPSXJHOLPJL-CMDGGOBGSA-N
XLogP4.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-[2-(4-propan-2-yloxyphenyl)ethenyl]silane
CID 154158908
1-phenoxy-4-(2-phenylethenyl)benzene
CID 175482284
1-(2-phenylethenyl)-4-propan-2-ylbenzene
CID 53397765
tributyl-[2-[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]phenyl]stannane
CID 16638844
1-ethoxy-4-(2-phenylethenyl)benzene
CID 54277622
propan-2-yl 3-(4-propan-2-yloxyphenyl)prop-2-enoate
CID 140807731
1-(4-methylpentoxy)-4-[(E)-2-phenylethenyl]benzene
CID 118960625
(E)-N-(2-phenylethyl)-3-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 930103
CID 56982429
CID 56982429
propan-2-yl formate;propan-2-yloxybenzene
CID 175545424
2-(3-phenylprop-2-enyl)-1-(4-propan-2-yloxyphenyl)guanidine
CID 111811754
tert-butyl (E)-3-(4-propan-2-yloxyphenyl)prop-2-enoate
CID 130331817

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-phenylethenyl]-4-propan-2-yloxybenzene?
The IUPAC name of 1-[(E)-2-phenylethenyl]-4-propan-2-yloxybenzene (CID 168849749) is 1-[(E)-2-phenylethenyl]-4-propan-2-yloxybenzene.
What is the SMILES notation for 1-[(E)-2-phenylethenyl]-4-propan-2-yloxybenzene?
The canonical SMILES for 1-[(E)-2-phenylethenyl]-4-propan-2-yloxybenzene is CC(C)Oc1ccc(/C=C/c2ccccc2)cc1.
What is the InChIKey of 1-[(E)-2-phenylethenyl]-4-propan-2-yloxybenzene?
The InChIKey is MKJDPSXJHOLPJL-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H18O/c1-14(2)18-17-12-10-16(11-13-17)9-8-15-6-4-3-5-7-15/h3-14H,1-2H3/b9-8+.
What are the key properties of 1-[(E)-2-phenylethenyl]-4-propan-2-yloxybenzene?
1-[(E)-2-phenylethenyl]-4-propan-2-yloxybenzene has a molecular weight of 238.33 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-phenylethenyl]-4-propan-2-yloxybenzene is sourced from PubChem (CID 168849749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).