(2S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol

C25H28O4 — CID 58798149

IUPAC(2S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
SMILESCOc1ccc(C(OCC[C@H](C)O)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H28O4/c1-19(26)17-18-29-25(20-7-5-4-6-8-20,21-9-13-23(27-2)14-10-21)22-11-15-24(28-3)16-12-22/h4-16,19,26H,17-18H2,1-3H3/t19-/m0/s1
InChIKeyKDBIWBFSSTYQGW-IBGZPJMESA-N
MW392.50 g/mol
LogP4.78
Rot. Bonds9

About (2S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol

(2S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol (PubChem CID 58798149) has the molecular formula C25H28O4 and a molecular weight of 392.50 g/mol. Its IUPAC name is (2S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol.

Molecular Properties

Compound Name(2S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
PubChem CID58798149
Molecular FormulaC25H28O4
Molecular Weight392.50 g/mol
Exact Mass392.20
IUPAC Name(2S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
SMILESCOc1ccc(C(OCC[C@H](C)O)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H28O4/c1-19(26)17-18-29-25(20-7-5-4-6-8-20,21-9-13-23(27-2)14-10-21)22-11-15-24(28-3)16-12-22/h4-16,19,26H,17-18H2,1-3H3/t19-/m0/s1
InChIKeyKDBIWBFSSTYQGW-IBGZPJMESA-N
XLogP4.78
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.78
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

4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 22022612
1-[bis(4-methoxyphenyl)-phenylmethoxy]nonan-3-ol
CID 143649283
4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-yl methanesulfonate
CID 151825288
3-amino-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 135215394
2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethanol
CID 57357526
(2R,3R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butane-1,2,3-triol
CID 67864554
2-[bis(4-methoxyphenyl)-phenylmethoxy]-1-phenylethanol
CID 11112996
1,5-ditrityloxypentan-3-ol
CID 140507927
12-[bis(4-methoxyphenyl)-phenylmethoxy]dodecanamide
CID 141366713
(E)-1-[bis(4-methoxyphenyl)-phenylmethoxy]icos-11-en-3-ol
CID 68745223
1-[dodecoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 101094688
1-methoxy-4-[(4-methoxyphenyl)-[(2S)-2-methylbutoxy]-phenylmethyl]benzene
CID 166649952

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol?
The IUPAC name of (2S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol (CID 58798149) is (2S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol.
What is the SMILES notation for (2S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol?
The canonical SMILES for (2S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol is COc1ccc(C(OCC[C@H](C)O)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of (2S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol?
The InChIKey is KDBIWBFSSTYQGW-IBGZPJMESA-N. The full InChI is InChI=1S/C25H28O4/c1-19(26)17-18-29-25(20-7-5-4-6-8-20,21-9-13-23(27-2)14-10-21)22-11-15-24(28-3)16-12-22/h4-16,19,26H,17-18H2,1-3H3/t19-/m0/s1.
What are the key properties of (2S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol?
(2S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol has a molecular weight of 392.50 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol is sourced from PubChem (CID 58798149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).