4-[(1S)-1-(4-methylphenoxy)-3-[4-[(2S)-2-(4-methylphenoxy)propyl]phenoxy]propyl]phenol

C32H34O4 — CID 147998272

IUPAC4-[(1S)-1-(4-methylphenoxy)-3-[4-[(2S)-2-(4-methylphenoxy)propyl]phenoxy]propyl]phenol
SMILESCc1ccc(O[C@@H](CCOc2ccc(C[C@H](C)Oc3ccc(C)cc3)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C32H34O4/c1-23-4-14-30(15-5-23)35-25(3)22-26-8-18-29(19-9-26)34-21-20-32(27-10-12-28(33)13-11-27)36-31-16-6-24(2)7-17-31/h4-19,25,32-33H,20-22H2,1-3H3/t25-,32-/m0/s1
InChIKeyIWKTYATWJVHWNS-UKJJDJLKSA-N
MW482.62 g/mol
LogP7.61
Rot. Bonds11

About 4-[(1S)-1-(4-methylphenoxy)-3-[4-[(2S)-2-(4-methylphenoxy)propyl]phenoxy]propyl]phenol

4-[(1S)-1-(4-methylphenoxy)-3-[4-[(2S)-2-(4-methylphenoxy)propyl]phenoxy]propyl]phenol (PubChem CID 147998272) has the molecular formula C32H34O4 and a molecular weight of 482.62 g/mol. Its IUPAC name is 4-[(1S)-1-(4-methylphenoxy)-3-[4-[(2S)-2-(4-methylphenoxy)propyl]phenoxy]propyl]phenol.

Molecular Properties

Compound Name4-[(1S)-1-(4-methylphenoxy)-3-[4-[(2S)-2-(4-methylphenoxy)propyl]phenoxy]propyl]phenol
PubChem CID147998272
Molecular FormulaC32H34O4
Molecular Weight482.62 g/mol
Exact Mass482.25
IUPAC Name4-[(1S)-1-(4-methylphenoxy)-3-[4-[(2S)-2-(4-methylphenoxy)propyl]phenoxy]propyl]phenol
SMILESCc1ccc(O[C@@H](CCOc2ccc(C[C@H](C)Oc3ccc(C)cc3)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C32H34O4/c1-23-4-14-30(15-5-23)35-25(3)22-26-8-18-29(19-9-26)34-21-20-32(27-10-12-28(33)13-11-27)36-31-16-6-24(2)7-17-31/h4-19,25,32-33H,20-22H2,1-3H3/t25-,32-/m0/s1
InChIKeyIWKTYATWJVHWNS-UKJJDJLKSA-N
XLogP7.61
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.62
LogP ≤ 57.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(1S)-1-(4-methylphenoxy)-3-[4-[(2S)-2-(4-methylphenoxy)propyl]phenoxy]propyl]phenol with MolForge

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Related Compounds

[4-[(2R)-2-(4-methylphenoxy)propyl]phenyl]methanol
CID 124567142
1-(chloromethyl)-4-[2-(4-methylphenoxy)propyl]benzene
CID 67328041
4-[2-(4-hexoxyphenyl)propyl]phenol
CID 174617402
1-[2-methoxy-1-(4-methylphenoxy)ethyl]-4-methylbenzene
CID 59273396
4-[5-(4-hydroxyphenoxy)-3-methylpentoxy]phenol
CID 20548958
3-(4-butoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83951930
1-(2-phenoxypropyl)-4-phenylmethoxybenzene
CID 150936303
4-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 115494469
4-[(2R)-1-butoxypropan-2-yl]oxyphenol
CID 14418920
1-methyl-4-(1-phenylbutoxy)benzene
CID 59718095
1-(1-methoxypropan-2-yloxy)-4-methylbenzene
CID 64765827
(2R)-3-(4-hydroxyphenyl)-2-(4-propan-2-ylphenoxy)propanoic acid
CID 54214369

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-(4-methylphenoxy)-3-[4-[(2S)-2-(4-methylphenoxy)propyl]phenoxy]propyl]phenol?
The IUPAC name of 4-[(1S)-1-(4-methylphenoxy)-3-[4-[(2S)-2-(4-methylphenoxy)propyl]phenoxy]propyl]phenol (CID 147998272) is 4-[(1S)-1-(4-methylphenoxy)-3-[4-[(2S)-2-(4-methylphenoxy)propyl]phenoxy]propyl]phenol.
What is the SMILES notation for 4-[(1S)-1-(4-methylphenoxy)-3-[4-[(2S)-2-(4-methylphenoxy)propyl]phenoxy]propyl]phenol?
The canonical SMILES for 4-[(1S)-1-(4-methylphenoxy)-3-[4-[(2S)-2-(4-methylphenoxy)propyl]phenoxy]propyl]phenol is Cc1ccc(O[C@@H](CCOc2ccc(C[C@H](C)Oc3ccc(C)cc3)cc2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(1S)-1-(4-methylphenoxy)-3-[4-[(2S)-2-(4-methylphenoxy)propyl]phenoxy]propyl]phenol?
The InChIKey is IWKTYATWJVHWNS-UKJJDJLKSA-N. The full InChI is InChI=1S/C32H34O4/c1-23-4-14-30(15-5-23)35-25(3)22-26-8-18-29(19-9-26)34-21-20-32(27-10-12-28(33)13-11-27)36-31-16-6-24(2)7-17-31/h4-19,25,32-33H,20-22H2,1-3H3/t25-,32-/m0/s1.
What are the key properties of 4-[(1S)-1-(4-methylphenoxy)-3-[4-[(2S)-2-(4-methylphenoxy)propyl]phenoxy]propyl]phenol?
4-[(1S)-1-(4-methylphenoxy)-3-[4-[(2S)-2-(4-methylphenoxy)propyl]phenoxy]propyl]phenol has a molecular weight of 482.62 g/mol, XLogP of 7.61, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-(4-methylphenoxy)-3-[4-[(2S)-2-(4-methylphenoxy)propyl]phenoxy]propyl]phenol is sourced from PubChem (CID 147998272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).