1-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol;methane;uranium

C26H31O4U- — CID 159393710

IUPAC1-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol;methane;uranium
SMILESC.CCC(O)[CH-]OC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1.[U]
InChIInChI=1S/C25H27O4.CH4.U/c1-4-22(26)18-29-25(19-8-6-5-7-9-19,20-10-14-23(27-2)15-11-20)21-12-16-24(28-3)17-13-21;;/h5-18,22,26H,4H2,1-3H3;1H4;/q-1;;
InChIKeyJVNSEIKUTYNZHA-UHFFFAOYSA-N
MW645.56 g/mol
LogP5.58
Rot. Bonds9

About 1-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol;methane;uranium

1-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol;methane;uranium (PubChem CID 159393710) has the molecular formula C26H31O4U- and a molecular weight of 645.56 g/mol. Its IUPAC name is 1-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol;methane;uranium.

Molecular Properties

Compound Name1-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol;methane;uranium
PubChem CID159393710
Molecular FormulaC26H31O4U-
Molecular Weight645.56 g/mol
Exact Mass645.27
IUPAC Name1-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol;methane;uranium
SMILESC.CCC(O)[CH-]OC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1.[U]
InChIInChI=1S/C25H27O4.CH4.U/c1-4-22(26)18-29-25(19-8-6-5-7-9-19,20-10-14-23(27-2)15-11-20)21-12-16-24(28-3)17-13-21;;/h5-18,22,26H,4H2,1-3H3;1H4;/q-1;;
InChIKeyJVNSEIKUTYNZHA-UHFFFAOYSA-N
XLogP5.58
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.56
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1,5,5-tetrakis(4-methoxyphenyl)-1,5-diphenylpentan-3-ol
CID 70004134
1-[bis(4-methoxyphenyl)-phenylmethoxy]nonan-3-ol
CID 143649283
1-[dodecoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 101094688
1-methoxy-4-[(4-methoxyphenyl)-[(2S)-2-methylbutoxy]-phenylmethyl]benzene
CID 166649952
1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(ethylamino)propan-2-ol
CID 135215406
(2R)-1-hexadecoxy-3-[(4-methoxyphenyl)-diphenylmethoxy]propan-2-ol
CID 14260773
2-[bis(4-methoxyphenyl)-phenylmethoxy]-1-phenylethanol
CID 11112996
(2R,3R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butane-1,2,3-triol
CID 67864554
(2S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 58798149
4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 22022612
2-bromo-2-[(4-methoxyphenyl)-diphenylmethoxy]ethanol
CID 66776928
3-amino-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 135215394

Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol;methane;uranium?
The IUPAC name of 1-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol;methane;uranium (CID 159393710) is 1-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol;methane;uranium.
What is the SMILES notation for 1-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol;methane;uranium?
The canonical SMILES for 1-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol;methane;uranium is C.CCC(O)[CH-]OC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1.[U].
What is the InChIKey of 1-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol;methane;uranium?
The InChIKey is JVNSEIKUTYNZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27O4.CH4.U/c1-4-22(26)18-29-25(19-8-6-5-7-9-19,20-10-14-23(27-2)15-11-20)21-12-16-24(28-3)17-13-21;;/h5-18,22,26H,4H2,1-3H3;1H4;/q-1;;.
What are the key properties of 1-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol;methane;uranium?
1-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol;methane;uranium has a molecular weight of 645.56 g/mol, XLogP of 5.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol;methane;uranium is sourced from PubChem (CID 159393710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).