formaldehyde;1-[4-[(4-propoxyphenyl)methyl]phenoxy]pent-4-en-2-ol;tungsten

C22H27O4W- — CID 162126858

IUPACformaldehyde;1-[4-[(4-propoxyphenyl)methyl]phenoxy]pent-4-en-2-ol;tungsten
SMILESC=CCC(O)COc1ccc(Cc2ccc(OCC[CH2-])cc2)cc1.C=O.[W]
InChIInChI=1S/C21H25O3.CH2O.W/c1-3-5-19(22)16-24-21-12-8-18(9-13-21)15-17-6-10-20(11-7-17)23-14-4-2;1-2;/h3,6-13,19,22H,1-2,4-5,14-16H2;1H2;/q-1;;
InChIKeyCVVCWCQPGAPJQK-UHFFFAOYSA-N
MW539.29 g/mol
LogP4.01
Rot. Bonds10

About formaldehyde;1-[4-[(4-propoxyphenyl)methyl]phenoxy]pent-4-en-2-ol;tungsten

formaldehyde;1-[4-[(4-propoxyphenyl)methyl]phenoxy]pent-4-en-2-ol;tungsten (PubChem CID 162126858) has the molecular formula C22H27O4W- and a molecular weight of 539.29 g/mol. Its IUPAC name is formaldehyde;1-[4-[(4-propoxyphenyl)methyl]phenoxy]pent-4-en-2-ol;tungsten.

Molecular Properties

Compound Nameformaldehyde;1-[4-[(4-propoxyphenyl)methyl]phenoxy]pent-4-en-2-ol;tungsten
PubChem CID162126858
Molecular FormulaC22H27O4W-
Molecular Weight539.29 g/mol
Exact Mass539.14
IUPAC Nameformaldehyde;1-[4-[(4-propoxyphenyl)methyl]phenoxy]pent-4-en-2-ol;tungsten
SMILESC=CCC(O)COc1ccc(Cc2ccc(OCC[CH2-])cc2)cc1.C=O.[W]
InChIInChI=1S/C21H25O3.CH2O.W/c1-3-5-19(22)16-24-21-12-8-18(9-13-21)15-17-6-10-20(11-7-17)23-14-4-2;1-2;/h3,6-13,19,22H,1-2,4-5,14-16H2;1H2;/q-1;;
InChIKeyCVVCWCQPGAPJQK-UHFFFAOYSA-N
XLogP4.01
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.29
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

formaldehyde;1-[4-[[4-(3-hydroxypropoxy)phenyl]methyl]phenoxy]pent-4-en-2-ol;tungsten
CID 161327558
1-[4-(2-aminoethyl)phenoxy]pent-4-en-2-ol
CID 118016842
1-[4-[(4-ethoxyphenyl)methyl]phenoxy]-3-fluoropropan-2-ol;tungsten
CID 160707756
[2-hydroxy-3-[4-[[4-(2-hydroxy-3-methoxypropoxy)phenyl]methyl]phenoxy]propyl] prop-2-enoate
CID 118443194
1-(2-prop-2-enoxyethoxy)-4-[[4-(2-prop-2-enoxyethoxy)phenyl]methyl]benzene
CID 22082109
1-[4-[[4-(2-hydroxybutoxy)phenyl]methyl]phenoxy]butan-2-ol
CID 59871731
(2S)-1-amino-3-[4-[[4-[(2S)-3-amino-2-hydroxypropoxy]phenyl]methyl]phenoxy]propan-2-ol
CID 34178474
(2R)-1-chloro-3-[4-(2-prop-2-enoxyethyl)phenoxy]propan-2-ol
CID 58583048
1-prop-2-enoxy-4-[[4-[3-[4-[(4-prop-2-enoxyphenyl)methyl]phenoxy]propoxy]phenyl]methyl]benzene
CID 59168518
formaldehyde;2-[4-[[4-(prop-2-enoyloxymethyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate
CID 162101397
1-undec-10-enoxy-4-[(4-undec-10-enoxyphenyl)methyl]benzene
CID 132933254
1-fluoro-3-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol
CID 159194222

Frequently Asked Questions

What is the IUPAC name of formaldehyde;1-[4-[(4-propoxyphenyl)methyl]phenoxy]pent-4-en-2-ol;tungsten?
The IUPAC name of formaldehyde;1-[4-[(4-propoxyphenyl)methyl]phenoxy]pent-4-en-2-ol;tungsten (CID 162126858) is formaldehyde;1-[4-[(4-propoxyphenyl)methyl]phenoxy]pent-4-en-2-ol;tungsten.
What is the SMILES notation for formaldehyde;1-[4-[(4-propoxyphenyl)methyl]phenoxy]pent-4-en-2-ol;tungsten?
The canonical SMILES for formaldehyde;1-[4-[(4-propoxyphenyl)methyl]phenoxy]pent-4-en-2-ol;tungsten is C=CCC(O)COc1ccc(Cc2ccc(OCC[CH2-])cc2)cc1.C=O.[W].
What is the InChIKey of formaldehyde;1-[4-[(4-propoxyphenyl)methyl]phenoxy]pent-4-en-2-ol;tungsten?
The InChIKey is CVVCWCQPGAPJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25O3.CH2O.W/c1-3-5-19(22)16-24-21-12-8-18(9-13-21)15-17-6-10-20(11-7-17)23-14-4-2;1-2;/h3,6-13,19,22H,1-2,4-5,14-16H2;1H2;/q-1;;.
What are the key properties of formaldehyde;1-[4-[(4-propoxyphenyl)methyl]phenoxy]pent-4-en-2-ol;tungsten?
formaldehyde;1-[4-[(4-propoxyphenyl)methyl]phenoxy]pent-4-en-2-ol;tungsten has a molecular weight of 539.29 g/mol, XLogP of 4.01, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;1-[4-[(4-propoxyphenyl)methyl]phenoxy]pent-4-en-2-ol;tungsten is sourced from PubChem (CID 162126858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).