[3-[(2-methylpropan-2-yl)oxy]-5-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylmethoxy]phenyl]-phenylmethanol

C34H38O4 — CID 126621245

IUPAC[3-[(2-methylpropan-2-yl)oxy]-5-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylmethoxy]phenyl]-phenylmethanol
SMILESCC(C)(C)Oc1ccc(C(Oc2cc(OC(C)(C)C)cc(C(O)c3ccccc3)c2)c2ccccc2)cc1
InChIInChI=1S/C34H38O4/c1-33(2,3)37-28-19-17-26(18-20-28)32(25-15-11-8-12-16-25)36-29-21-27(22-30(23-29)38-34(4,5)6)31(35)24-13-9-7-10-14-24/h7-23,31-32,35H,1-6H3
InChIKeyPMPIWLHZDNHDJM-UHFFFAOYSA-N
MW510.67 g/mol
LogP8.29
Rot. Bonds8

About [3-[(2-methylpropan-2-yl)oxy]-5-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylmethoxy]phenyl]-phenylmethanol

[3-[(2-methylpropan-2-yl)oxy]-5-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylmethoxy]phenyl]-phenylmethanol (PubChem CID 126621245) has the molecular formula C34H38O4 and a molecular weight of 510.67 g/mol. Its IUPAC name is [3-[(2-methylpropan-2-yl)oxy]-5-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylmethoxy]phenyl]-phenylmethanol.

Molecular Properties

Compound Name[3-[(2-methylpropan-2-yl)oxy]-5-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylmethoxy]phenyl]-phenylmethanol
PubChem CID126621245
Molecular FormulaC34H38O4
Molecular Weight510.67 g/mol
Exact Mass510.28
IUPAC Name[3-[(2-methylpropan-2-yl)oxy]-5-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylmethoxy]phenyl]-phenylmethanol
SMILESCC(C)(C)Oc1ccc(C(Oc2cc(OC(C)(C)C)cc(C(O)c3ccccc3)c2)c2ccccc2)cc1
InChIInChI=1S/C34H38O4/c1-33(2,3)37-28-19-17-26(18-20-28)32(25-15-11-8-12-16-25)36-29-21-27(22-30(23-29)38-34(4,5)6)31(35)24-13-9-7-10-14-24/h7-23,31-32,35H,1-6H3
InChIKeyPMPIWLHZDNHDJM-UHFFFAOYSA-N
XLogP8.29
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.67
LogP ≤ 58.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[(2-methylpropan-2-yl)oxy]-5-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylmethoxy]phenyl]-phenylmethanol with MolForge

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Related Compounds

bis[2-[(2-methylpropan-2-yl)oxy]phenyl]methanol;bis[3-[(2-methylpropan-2-yl)oxy]phenyl]methanol;bis(3-phenylphenyl)methanol;bis(4-phenylphenyl)methanol;[2-[(2-methylpropan-2-yl)oxy]phenyl]-phenylmethanol;[3-[(2-methylpropan-2-yl)oxy]phenyl]-phenylmethanol;[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylmethanol
CID 159768306
(R)-phenyl-[4-(trifluoromethoxy)phenyl]methanol
CID 95251088
[2-amino-4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylmethanol
CID 129103581
butane;ethane;methane;1-[(2-methylpropan-2-yl)oxy]-4-(1-phenylethyl)benzene
CID 162233950
benzhydryl 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetate
CID 20570647
2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol
CID 22486849
bis[4-[(2-methylpropan-2-yl)oxy]phenyl]methanol;bis[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl prop-2-enoate;prop-2-enoyl chloride
CID 160619357
methane;1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-propan-2-yl-3-propan-2-yloxybenzene
CID 159288749
[4-(4-methoxyphenyl)phenyl]-phenylmethanol
CID 141264274
4-[phenoxy(phenyl)methyl]phenol
CID 174712499
ethane;methane;(2-methylpropan-2-yl)oxybenzene
CID 159885563
ethane;methane;(2-methylpropan-2-yl)oxybenzene
CID 161423888

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methylpropan-2-yl)oxy]-5-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylmethoxy]phenyl]-phenylmethanol?
The IUPAC name of [3-[(2-methylpropan-2-yl)oxy]-5-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylmethoxy]phenyl]-phenylmethanol (CID 126621245) is [3-[(2-methylpropan-2-yl)oxy]-5-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylmethoxy]phenyl]-phenylmethanol.
What is the SMILES notation for [3-[(2-methylpropan-2-yl)oxy]-5-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylmethoxy]phenyl]-phenylmethanol?
The canonical SMILES for [3-[(2-methylpropan-2-yl)oxy]-5-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylmethoxy]phenyl]-phenylmethanol is CC(C)(C)Oc1ccc(C(Oc2cc(OC(C)(C)C)cc(C(O)c3ccccc3)c2)c2ccccc2)cc1.
What is the InChIKey of [3-[(2-methylpropan-2-yl)oxy]-5-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylmethoxy]phenyl]-phenylmethanol?
The InChIKey is PMPIWLHZDNHDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38O4/c1-33(2,3)37-28-19-17-26(18-20-28)32(25-15-11-8-12-16-25)36-29-21-27(22-30(23-29)38-34(4,5)6)31(35)24-13-9-7-10-14-24/h7-23,31-32,35H,1-6H3.
What are the key properties of [3-[(2-methylpropan-2-yl)oxy]-5-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylmethoxy]phenyl]-phenylmethanol?
[3-[(2-methylpropan-2-yl)oxy]-5-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylmethoxy]phenyl]-phenylmethanol has a molecular weight of 510.67 g/mol, XLogP of 8.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methylpropan-2-yl)oxy]-5-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylmethoxy]phenyl]-phenylmethanol is sourced from PubChem (CID 126621245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).