bis[4-[(2E,4E)-hexa-2,4-dienoxy]phenyl]-phenylmethanol

C31H32O3 — CID 59962342

IUPACbis[4-[(2E,4E)-hexa-2,4-dienoxy]phenyl]-phenylmethanol
SMILESC/C=C/C=C/COc1ccc(C(O)(c2ccccc2)c2ccc(OC/C=C/C=C/C)cc2)cc1
InChIInChI=1S/C31H32O3/c1-3-5-7-12-24-33-29-20-16-27(17-21-29)31(32,26-14-10-9-11-15-26)28-18-22-30(23-19-28)34-25-13-8-6-4-2/h3-23,32H,24-25H2,1-2H3/b5-3+,6-4+,12-7+,13-8+
InChIKeyFVXRDNLPRWYRPI-NOUMGUEKSA-N
MW452.59 g/mol
LogP6.99
Rot. Bonds11

About bis[4-[(2E,4E)-hexa-2,4-dienoxy]phenyl]-phenylmethanol

bis[4-[(2E,4E)-hexa-2,4-dienoxy]phenyl]-phenylmethanol (PubChem CID 59962342) has the molecular formula C31H32O3 and a molecular weight of 452.59 g/mol. Its IUPAC name is bis[4-[(2E,4E)-hexa-2,4-dienoxy]phenyl]-phenylmethanol.

Molecular Properties

Compound Namebis[4-[(2E,4E)-hexa-2,4-dienoxy]phenyl]-phenylmethanol
PubChem CID59962342
Molecular FormulaC31H32O3
Molecular Weight452.59 g/mol
Exact Mass452.24
IUPAC Namebis[4-[(2E,4E)-hexa-2,4-dienoxy]phenyl]-phenylmethanol
SMILESC/C=C/C=C/COc1ccc(C(O)(c2ccccc2)c2ccc(OC/C=C/C=C/C)cc2)cc1
InChIInChI=1S/C31H32O3/c1-3-5-7-12-24-33-29-20-16-27(17-21-29)31(32,26-14-10-9-11-15-26)28-18-22-30(23-19-28)34-25-13-8-6-4-2/h3-23,32H,24-25H2,1-2H3/b5-3+,6-4+,12-7+,13-8+
InChIKeyFVXRDNLPRWYRPI-NOUMGUEKSA-N
XLogP6.99
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.59
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

hexa-2,4-dienoxybenzene;titanium
CID 87665934
but-2-enoxybenzene
CID 564963
(3E,5Z,7Z)-1,1-diphenylnona-3,5,7-trien-1-ol
CID 145321290
1-[(E)-but-2-enoxy]-4-tert-butylbenzene
CID 59776904
N'-[4-[(2E,4E)-hexa-2,4-dienoxy]phenyl]-N-hydroxymethanimidamide
CID 20763416
2-hexa-2,4-dienoxybenzoic acid
CID 91084675
2-[(2E,4E)-hexa-2,4-dienoxy]benzoic acid
CID 87203148
(E)-3-ethyl-6-phenoxyhex-4-en-3-ol
CID 15356978
ethane;[(2Z,4Z)-hepta-2,4,6-trienoxy]benzene
CID 142113117
CID 173068200
CID 173068200
1-(4-ethoxyphenyl)-1-phenylbutan-1-ol
CID 62786789
bis[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-phenylmethanol
CID 21185148

Frequently Asked Questions

What is the IUPAC name of bis[4-[(2E,4E)-hexa-2,4-dienoxy]phenyl]-phenylmethanol?
The IUPAC name of bis[4-[(2E,4E)-hexa-2,4-dienoxy]phenyl]-phenylmethanol (CID 59962342) is bis[4-[(2E,4E)-hexa-2,4-dienoxy]phenyl]-phenylmethanol.
What is the SMILES notation for bis[4-[(2E,4E)-hexa-2,4-dienoxy]phenyl]-phenylmethanol?
The canonical SMILES for bis[4-[(2E,4E)-hexa-2,4-dienoxy]phenyl]-phenylmethanol is C/C=C/C=C/COc1ccc(C(O)(c2ccccc2)c2ccc(OC/C=C/C=C/C)cc2)cc1.
What is the InChIKey of bis[4-[(2E,4E)-hexa-2,4-dienoxy]phenyl]-phenylmethanol?
The InChIKey is FVXRDNLPRWYRPI-NOUMGUEKSA-N. The full InChI is InChI=1S/C31H32O3/c1-3-5-7-12-24-33-29-20-16-27(17-21-29)31(32,26-14-10-9-11-15-26)28-18-22-30(23-19-28)34-25-13-8-6-4-2/h3-23,32H,24-25H2,1-2H3/b5-3+,6-4+,12-7+,13-8+.
What are the key properties of bis[4-[(2E,4E)-hexa-2,4-dienoxy]phenyl]-phenylmethanol?
bis[4-[(2E,4E)-hexa-2,4-dienoxy]phenyl]-phenylmethanol has a molecular weight of 452.59 g/mol, XLogP of 6.99, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-[(2E,4E)-hexa-2,4-dienoxy]phenyl]-phenylmethanol is sourced from PubChem (CID 59962342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).