2,3-bis[2-[(E)-but-2-enoxy]phenyl]butane-2,3-diol

C24H30O4 — CID 12072336

IUPAC2,3-bis[2-[(E)-but-2-enoxy]phenyl]butane-2,3-diol
SMILESC/C=C/COc1ccccc1C(C)(O)C(C)(O)c1ccccc1OC/C=C/C
InChIInChI=1S/C24H30O4/c1-5-7-17-27-21-15-11-9-13-19(21)23(3,25)24(4,26)20-14-10-12-16-22(20)28-18-8-6-2/h5-16,25-26H,17-18H2,1-4H3/b7-5+,8-6+
InChIKeyNOOIEPBAHPXKKM-KQQUZDAGSA-N
MW382.50 g/mol
LogP4.71
Rot. Bonds9

About 2,3-bis[2-[(E)-but-2-enoxy]phenyl]butane-2,3-diol

2,3-bis[2-[(E)-but-2-enoxy]phenyl]butane-2,3-diol (PubChem CID 12072336) has the molecular formula C24H30O4 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2,3-bis[2-[(E)-but-2-enoxy]phenyl]butane-2,3-diol.

Molecular Properties

Compound Name2,3-bis[2-[(E)-but-2-enoxy]phenyl]butane-2,3-diol
PubChem CID12072336
Molecular FormulaC24H30O4
Molecular Weight382.50 g/mol
Exact Mass382.21
IUPAC Name2,3-bis[2-[(E)-but-2-enoxy]phenyl]butane-2,3-diol
SMILESC/C=C/COc1ccccc1C(C)(O)C(C)(O)c1ccccc1OC/C=C/C
InChIInChI=1S/C24H30O4/c1-5-7-17-27-21-15-11-9-13-19(21)23(3,25)24(4,26)20-14-10-12-16-22(20)28-18-8-6-2/h5-16,25-26H,17-18H2,1-4H3/b7-5+,8-6+
InChIKeyNOOIEPBAHPXKKM-KQQUZDAGSA-N
XLogP4.71
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-but-2-enoxy]-2-methylbenzene
CID 60773432
1-bromo-2-[(E)-but-2-enoxy]benzene
CID 13357581
2-[2-[(E)-but-2-enoxy]phenyl]acetic acid
CID 80742416
1-[2-[(E)-but-2-enoxy]phenyl]ethanol
CID 43504052
1-tert-butyl-2-(3-phenylprop-2-enoxy)benzene
CID 77053007
(2-prop-2-enoxyphenyl)methanetriol
CID 23453506
1-tert-butyl-2-prop-2-enoxybenzene
CID 637356
1-prop-2-enoxy-2-[2-(2-prop-2-enoxyphenyl)propan-2-yl]benzene
CID 121396887
2-[(E)-but-2-enoxy]benzonitrile
CID 15264428
1-bromo-2-(2-ethoxyphenyl)-1,1-difluoropropan-2-ol
CID 107140543
(1S)-1-(2-but-2-enoxyphenyl)propan-1-ol
CID 78930646
but-2-enoxybenzene
CID 564963

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[2-[(E)-but-2-enoxy]phenyl]butane-2,3-diol?
The IUPAC name of 2,3-bis[2-[(E)-but-2-enoxy]phenyl]butane-2,3-diol (CID 12072336) is 2,3-bis[2-[(E)-but-2-enoxy]phenyl]butane-2,3-diol.
What is the SMILES notation for 2,3-bis[2-[(E)-but-2-enoxy]phenyl]butane-2,3-diol?
The canonical SMILES for 2,3-bis[2-[(E)-but-2-enoxy]phenyl]butane-2,3-diol is C/C=C/COc1ccccc1C(C)(O)C(C)(O)c1ccccc1OC/C=C/C.
What is the InChIKey of 2,3-bis[2-[(E)-but-2-enoxy]phenyl]butane-2,3-diol?
The InChIKey is NOOIEPBAHPXKKM-KQQUZDAGSA-N. The full InChI is InChI=1S/C24H30O4/c1-5-7-17-27-21-15-11-9-13-19(21)23(3,25)24(4,26)20-14-10-12-16-22(20)28-18-8-6-2/h5-16,25-26H,17-18H2,1-4H3/b7-5+,8-6+.
What are the key properties of 2,3-bis[2-[(E)-but-2-enoxy]phenyl]butane-2,3-diol?
2,3-bis[2-[(E)-but-2-enoxy]phenyl]butane-2,3-diol has a molecular weight of 382.50 g/mol, XLogP of 4.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[2-[(E)-but-2-enoxy]phenyl]butane-2,3-diol is sourced from PubChem (CID 12072336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).