1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(ethylamino)propan-2-ol

C26H31NO4 — CID 135215406

IUPAC1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(ethylamino)propan-2-ol
SMILESCCNCC(O)COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C26H31NO4/c1-4-27-18-23(28)19-31-26(20-8-6-5-7-9-20,21-10-14-24(29-2)15-11-21)22-12-16-25(30-3)17-13-22/h5-17,23,27-28H,4,18-19H2,1-3H3
InChIKeyFAKUHYBGSCKXQR-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.98
Rot. Bonds11

About 1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(ethylamino)propan-2-ol

1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(ethylamino)propan-2-ol (PubChem CID 135215406) has the molecular formula C26H31NO4 and a molecular weight of 421.54 g/mol. Its IUPAC name is 1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(ethylamino)propan-2-ol.

Molecular Properties

Compound Name1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(ethylamino)propan-2-ol
PubChem CID135215406
Molecular FormulaC26H31NO4
Molecular Weight421.54 g/mol
Exact Mass421.23
IUPAC Name1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(ethylamino)propan-2-ol
SMILESCCNCC(O)COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C26H31NO4/c1-4-27-18-23(28)19-31-26(20-8-6-5-7-9-20,21-10-14-24(29-2)15-11-21)22-12-16-25(30-3)17-13-22/h5-17,23,27-28H,4,18-19H2,1-3H3
InChIKeyFAKUHYBGSCKXQR-UHFFFAOYSA-N
XLogP3.98
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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
2-[bis(4-methoxyphenyl)-phenylmethoxy]-1-phenylethanol
CID 11112996
(2R)-1-hexadecoxy-3-[(4-methoxyphenyl)-diphenylmethoxy]propan-2-ol
CID 14260773
1-methoxy-4-[(4-methoxyphenyl)-[(2S)-2-methylbutoxy]-phenylmethyl]benzene
CID 166649952
3-amino-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 135215394
(2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-ol
CID 142497064
3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanamide
CID 91429970
(2S)-1-[(4-methoxyphenyl)-diphenylmethoxy]-3-[(4-phenoxyphenyl)methoxy]propan-2-ol
CID 10325161
[(2S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl] octadecanoate
CID 11115011
1,3-bis[[(4-methoxyphenyl)-diphenylmethyl]amino]propan-2-ol
CID 10579918
4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 22022612
(2S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 58798149

Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(ethylamino)propan-2-ol?
The IUPAC name of 1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(ethylamino)propan-2-ol (CID 135215406) is 1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(ethylamino)propan-2-ol.
What is the SMILES notation for 1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(ethylamino)propan-2-ol?
The canonical SMILES for 1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(ethylamino)propan-2-ol is CCNCC(O)COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of 1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(ethylamino)propan-2-ol?
The InChIKey is FAKUHYBGSCKXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO4/c1-4-27-18-23(28)19-31-26(20-8-6-5-7-9-20,21-10-14-24(29-2)15-11-21)22-12-16-25(30-3)17-13-22/h5-17,23,27-28H,4,18-19H2,1-3H3.
What are the key properties of 1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(ethylamino)propan-2-ol?
1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(ethylamino)propan-2-ol has a molecular weight of 421.54 g/mol, XLogP of 3.98, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(ethylamino)propan-2-ol is sourced from PubChem (CID 135215406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).