4-[(4-methoxyphenyl)-[(5-methyloxolan-2-yl)methoxy]-phenylmethyl]phenol

C26H28O4 — CID 171805579

IUPAC4-[(4-methoxyphenyl)-[(5-methyloxolan-2-yl)methoxy]-phenylmethyl]phenol
SMILESCOc1ccc(C(OCC2CCC(C)O2)(c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C26H28O4/c1-19-8-15-25(30-19)18-29-26(20-6-4-3-5-7-20,21-9-13-23(27)14-10-21)22-11-16-24(28-2)17-12-22/h3-7,9-14,16-17,19,25,27H,8,15,18H2,1-2H3
InChIKeyLWJFJTGDLSYQTR-UHFFFAOYSA-N
MW404.51 g/mol
LogP5.28
Rot. Bonds7

About 4-[(4-methoxyphenyl)-[(5-methyloxolan-2-yl)methoxy]-phenylmethyl]phenol

4-[(4-methoxyphenyl)-[(5-methyloxolan-2-yl)methoxy]-phenylmethyl]phenol (PubChem CID 171805579) has the molecular formula C26H28O4 and a molecular weight of 404.51 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)-[(5-methyloxolan-2-yl)methoxy]-phenylmethyl]phenol.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)-[(5-methyloxolan-2-yl)methoxy]-phenylmethyl]phenol
PubChem CID171805579
Molecular FormulaC26H28O4
Molecular Weight404.51 g/mol
Exact Mass404.20
IUPAC Name4-[(4-methoxyphenyl)-[(5-methyloxolan-2-yl)methoxy]-phenylmethyl]phenol
SMILESCOc1ccc(C(OCC2CCC(C)O2)(c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C26H28O4/c1-19-8-15-25(30-19)18-29-26(20-6-4-3-5-7-20,21-9-13-23(27)14-10-21)22-11-16-24(28-2)17-12-22/h3-7,9-14,16-17,19,25,27H,8,15,18H2,1-2H3
InChIKeyLWJFJTGDLSYQTR-UHFFFAOYSA-N
XLogP5.28
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 55.28
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

(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxirane
CID 71608137
(2S,3R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxirane
CID 10861318
(5R)-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-one
CID 10786507
3-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-2-yl]-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one
CID 4182704
CID 89240141
CID 89240141
(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]morpholine
CID 168862216
(1R,2R,5R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3,6-dioxabicyclo[3.1.0]hexane
CID 22849380
(2S,3R,4S,5R)-2-methoxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolane-3,4-diol
CID 102329501
(2R,6R)-2-methoxy-6-(trityloxymethyl)oxane
CID 56627536
(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluorooxolane-2,4-diol
CID 171124942
(2S,3S,4S,5S,6R)-2-methoxy-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxane-3,4,5-triol
CID 10994273
(2R,3R,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-fluorooxolan-3-ol
CID 173330090

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)-[(5-methyloxolan-2-yl)methoxy]-phenylmethyl]phenol?
The IUPAC name of 4-[(4-methoxyphenyl)-[(5-methyloxolan-2-yl)methoxy]-phenylmethyl]phenol (CID 171805579) is 4-[(4-methoxyphenyl)-[(5-methyloxolan-2-yl)methoxy]-phenylmethyl]phenol.
What is the SMILES notation for 4-[(4-methoxyphenyl)-[(5-methyloxolan-2-yl)methoxy]-phenylmethyl]phenol?
The canonical SMILES for 4-[(4-methoxyphenyl)-[(5-methyloxolan-2-yl)methoxy]-phenylmethyl]phenol is COc1ccc(C(OCC2CCC(C)O2)(c2ccccc2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)-[(5-methyloxolan-2-yl)methoxy]-phenylmethyl]phenol?
The InChIKey is LWJFJTGDLSYQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O4/c1-19-8-15-25(30-19)18-29-26(20-6-4-3-5-7-20,21-9-13-23(27)14-10-21)22-11-16-24(28-2)17-12-22/h3-7,9-14,16-17,19,25,27H,8,15,18H2,1-2H3.
What are the key properties of 4-[(4-methoxyphenyl)-[(5-methyloxolan-2-yl)methoxy]-phenylmethyl]phenol?
4-[(4-methoxyphenyl)-[(5-methyloxolan-2-yl)methoxy]-phenylmethyl]phenol has a molecular weight of 404.51 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)-[(5-methyloxolan-2-yl)methoxy]-phenylmethyl]phenol is sourced from PubChem (CID 171805579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).