1-bromo-2-[(E)-2-(3-phenylmethoxy-4-propan-2-yloxyphenyl)ethenyl]-4-propan-2-yloxybenzene

C27H29BrO3 — CID 53483705

IUPAC1-bromo-2-[(E)-2-(3-phenylmethoxy-4-propan-2-yloxyphenyl)ethenyl]-4-propan-2-yloxybenzene
SMILESCC(C)Oc1ccc(Br)c(/C=C/c2ccc(OC(C)C)c(OCc3ccccc3)c2)c1
InChIInChI=1S/C27H29BrO3/c1-19(2)30-24-13-14-25(28)23(17-24)12-10-21-11-15-26(31-20(3)4)27(16-21)29-18-22-8-6-5-7-9-22/h5-17,19-20H,18H2,1-4H3/b12-10+
InChIKeySZGHRAGQVBBLOU-ZRDIBKRKSA-N
MW481.43 g/mol
LogP7.77
Rot. Bonds9

About 1-bromo-2-[(E)-2-(3-phenylmethoxy-4-propan-2-yloxyphenyl)ethenyl]-4-propan-2-yloxybenzene

1-bromo-2-[(E)-2-(3-phenylmethoxy-4-propan-2-yloxyphenyl)ethenyl]-4-propan-2-yloxybenzene (PubChem CID 53483705) has the molecular formula C27H29BrO3 and a molecular weight of 481.43 g/mol. Its IUPAC name is 1-bromo-2-[(E)-2-(3-phenylmethoxy-4-propan-2-yloxyphenyl)ethenyl]-4-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-bromo-2-[(E)-2-(3-phenylmethoxy-4-propan-2-yloxyphenyl)ethenyl]-4-propan-2-yloxybenzene
PubChem CID53483705
Molecular FormulaC27H29BrO3
Molecular Weight481.43 g/mol
Exact Mass480.13
IUPAC Name1-bromo-2-[(E)-2-(3-phenylmethoxy-4-propan-2-yloxyphenyl)ethenyl]-4-propan-2-yloxybenzene
SMILESCC(C)Oc1ccc(Br)c(/C=C/c2ccc(OC(C)C)c(OCc3ccccc3)c2)c1
InChIInChI=1S/C27H29BrO3/c1-19(2)30-24-13-14-25(28)23(17-24)12-10-21-11-15-26(31-20(3)4)27(16-21)29-18-22-8-6-5-7-9-22/h5-17,19-20H,18H2,1-4H3/b12-10+
InChIKeySZGHRAGQVBBLOU-ZRDIBKRKSA-N
XLogP7.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.43
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-[2-(3-phenylmethoxy-4-propan-2-yloxyphenyl)ethyl]-4-propan-2-yloxybenzene
CID 53483706
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
(E)-6-[3,4-bis(phenylmethoxy)phenyl]-3-methylhex-5-ene-2,4-dione
CID 123400181
1-[(E)-2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene
CID 101267905
1-(3-phenylmethoxy-6-propan-2-yloxyquinolin-2-yl)ethanone
CID 22446096
1-methoxy-3-[(E)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-5-phenylmethoxybenzene
CID 141466658
2-chloro-4-phenylmethoxy-1-propan-2-yloxybenzene
CID 50888763
ethyl 3-(2-phenylmethoxy-4-propan-2-yloxyphenyl)prop-2-enoate
CID 90905721
1-ethoxy-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
CID 90367929
1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene
CID 135397184
(Z)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoic acid
CID 2478599
(E)-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbut-3-en-2-one
CID 22246671

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(E)-2-(3-phenylmethoxy-4-propan-2-yloxyphenyl)ethenyl]-4-propan-2-yloxybenzene?
The IUPAC name of 1-bromo-2-[(E)-2-(3-phenylmethoxy-4-propan-2-yloxyphenyl)ethenyl]-4-propan-2-yloxybenzene (CID 53483705) is 1-bromo-2-[(E)-2-(3-phenylmethoxy-4-propan-2-yloxyphenyl)ethenyl]-4-propan-2-yloxybenzene.
What is the SMILES notation for 1-bromo-2-[(E)-2-(3-phenylmethoxy-4-propan-2-yloxyphenyl)ethenyl]-4-propan-2-yloxybenzene?
The canonical SMILES for 1-bromo-2-[(E)-2-(3-phenylmethoxy-4-propan-2-yloxyphenyl)ethenyl]-4-propan-2-yloxybenzene is CC(C)Oc1ccc(Br)c(/C=C/c2ccc(OC(C)C)c(OCc3ccccc3)c2)c1.
What is the InChIKey of 1-bromo-2-[(E)-2-(3-phenylmethoxy-4-propan-2-yloxyphenyl)ethenyl]-4-propan-2-yloxybenzene?
The InChIKey is SZGHRAGQVBBLOU-ZRDIBKRKSA-N. The full InChI is InChI=1S/C27H29BrO3/c1-19(2)30-24-13-14-25(28)23(17-24)12-10-21-11-15-26(31-20(3)4)27(16-21)29-18-22-8-6-5-7-9-22/h5-17,19-20H,18H2,1-4H3/b12-10+.
What are the key properties of 1-bromo-2-[(E)-2-(3-phenylmethoxy-4-propan-2-yloxyphenyl)ethenyl]-4-propan-2-yloxybenzene?
1-bromo-2-[(E)-2-(3-phenylmethoxy-4-propan-2-yloxyphenyl)ethenyl]-4-propan-2-yloxybenzene has a molecular weight of 481.43 g/mol, XLogP of 7.77, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(E)-2-(3-phenylmethoxy-4-propan-2-yloxyphenyl)ethenyl]-4-propan-2-yloxybenzene is sourced from PubChem (CID 53483705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).