2-[bis(4-methoxyphenyl)-phenylmethoxy]-1-phenylethanol

C29H28O4 — CID 11112996

IUPAC2-[bis(4-methoxyphenyl)-phenylmethoxy]-1-phenylethanol
SMILESCOc1ccc(C(OCC(O)c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C29H28O4/c1-31-26-17-13-24(14-18-26)29(23-11-7-4-8-12-23,25-15-19-27(32-2)20-16-25)33-21-28(30)22-9-5-3-6-10-22/h3-20,28,30H,21H2,1-2H3
InChIKeyAKTULPLXKAOHKG-UHFFFAOYSA-N
MW440.54 g/mol
LogP5.75
Rot. Bonds9

About 2-[bis(4-methoxyphenyl)-phenylmethoxy]-1-phenylethanol

2-[bis(4-methoxyphenyl)-phenylmethoxy]-1-phenylethanol (PubChem CID 11112996) has the molecular formula C29H28O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is 2-[bis(4-methoxyphenyl)-phenylmethoxy]-1-phenylethanol.

Molecular Properties

Compound Name2-[bis(4-methoxyphenyl)-phenylmethoxy]-1-phenylethanol
PubChem CID11112996
Molecular FormulaC29H28O4
Molecular Weight440.54 g/mol
Exact Mass440.20
IUPAC Name2-[bis(4-methoxyphenyl)-phenylmethoxy]-1-phenylethanol
SMILESCOc1ccc(C(OCC(O)c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C29H28O4/c1-31-26-17-13-24(14-18-26)29(23-11-7-4-8-12-23,25-15-19-27(32-2)20-16-25)33-21-28(30)22-9-5-3-6-10-22/h3-20,28,30H,21H2,1-2H3
InChIKeyAKTULPLXKAOHKG-UHFFFAOYSA-N
XLogP5.75
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butane-1,2,3-triol
CID 67864554
3-amino-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 135215394
3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanamide
CID 91429970
1-methoxy-4-[(4-methoxyphenyl)-[(2S)-2-methylbutoxy]-phenylmethyl]benzene
CID 166649952
1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(ethylamino)propan-2-ol
CID 135215406
(2S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 58798149
4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 22022612
N-[1-[4-[(1S)-2-[bis(4-methoxyphenyl)-phenylmethoxy]-1-hydroxyethyl]phenyl]-2-oxopyrimidin-4-yl]benzamide
CID 132531152
(2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-ol
CID 142497064
(2R)-1-hexadecoxy-3-[(4-methoxyphenyl)-diphenylmethoxy]propan-2-ol
CID 14260773
(2S)-1-[(4-methoxyphenyl)-diphenylmethoxy]-3-[(4-phenoxyphenyl)methoxy]propan-2-ol
CID 10325161
[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(4-methoxyphenoxy)propan-2-yl]oxy-hydroxy-oxophosphanium
CID 10721654

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-methoxyphenyl)-phenylmethoxy]-1-phenylethanol?
The IUPAC name of 2-[bis(4-methoxyphenyl)-phenylmethoxy]-1-phenylethanol (CID 11112996) is 2-[bis(4-methoxyphenyl)-phenylmethoxy]-1-phenylethanol.
What is the SMILES notation for 2-[bis(4-methoxyphenyl)-phenylmethoxy]-1-phenylethanol?
The canonical SMILES for 2-[bis(4-methoxyphenyl)-phenylmethoxy]-1-phenylethanol is COc1ccc(C(OCC(O)c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[bis(4-methoxyphenyl)-phenylmethoxy]-1-phenylethanol?
The InChIKey is AKTULPLXKAOHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28O4/c1-31-26-17-13-24(14-18-26)29(23-11-7-4-8-12-23,25-15-19-27(32-2)20-16-25)33-21-28(30)22-9-5-3-6-10-22/h3-20,28,30H,21H2,1-2H3.
What are the key properties of 2-[bis(4-methoxyphenyl)-phenylmethoxy]-1-phenylethanol?
2-[bis(4-methoxyphenyl)-phenylmethoxy]-1-phenylethanol has a molecular weight of 440.54 g/mol, XLogP of 5.75, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-methoxyphenyl)-phenylmethoxy]-1-phenylethanol is sourced from PubChem (CID 11112996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).