1-[1,3-bis(2-phenylmethoxyphenyl)propan-2-yl]-2-phenylmethoxybenzene

C42H38O3 — CID 123524365

IUPAC1-[1,3-bis(2-phenylmethoxyphenyl)propan-2-yl]-2-phenylmethoxybenzene
SMILESc1ccc(COc2ccccc2CC(Cc2ccccc2OCc2ccccc2)c2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C42H38O3/c1-4-16-33(17-5-1)30-43-40-25-13-10-22-36(40)28-38(39-24-12-15-27-42(39)45-32-35-20-8-3-9-21-35)29-37-23-11-14-26-41(37)44-31-34-18-6-2-7-19-34/h1-27,38H,28-32H2
InChIKeyKGYJHDARMYXDBZ-UHFFFAOYSA-N
MW590.76 g/mol
LogP9.99
Rot. Bonds14

About 1-[1,3-bis(2-phenylmethoxyphenyl)propan-2-yl]-2-phenylmethoxybenzene

1-[1,3-bis(2-phenylmethoxyphenyl)propan-2-yl]-2-phenylmethoxybenzene (PubChem CID 123524365) has the molecular formula C42H38O3 and a molecular weight of 590.76 g/mol. Its IUPAC name is 1-[1,3-bis(2-phenylmethoxyphenyl)propan-2-yl]-2-phenylmethoxybenzene.

Molecular Properties

Compound Name1-[1,3-bis(2-phenylmethoxyphenyl)propan-2-yl]-2-phenylmethoxybenzene
PubChem CID123524365
Molecular FormulaC42H38O3
Molecular Weight590.76 g/mol
Exact Mass590.28
IUPAC Name1-[1,3-bis(2-phenylmethoxyphenyl)propan-2-yl]-2-phenylmethoxybenzene
SMILESc1ccc(COc2ccccc2CC(Cc2ccccc2OCc2ccccc2)c2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C42H38O3/c1-4-16-33(17-5-1)30-43-40-25-13-10-22-36(40)28-38(39-24-12-15-27-42(39)45-32-35-20-8-3-9-21-35)29-37-23-11-14-26-41(37)44-31-34-18-6-2-7-19-34/h1-27,38H,28-32H2
InChIKeyKGYJHDARMYXDBZ-UHFFFAOYSA-N
XLogP9.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.76
LogP ≤ 59.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

triphenyl-[(2-phenylmethoxyphenyl)methyl]phosphanium chloride
CID 19423967
(1S)-2,2-difluoro-1-(2-phenylmethoxyphenyl)ethanamine
CID 171251122
(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 71758033
(1R)-1-(2-phenylmethoxyphenyl)prop-2-en-1-amine;hydrochloride
CID 171214268
2-amino-2-(2-phenylmethoxyphenyl)ethanol
CID 77130440
(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol
CID 63365062
(1R,2R)-2-amino-4-(2-methoxyphenyl)-3-methyl-1-(2-phenylmethoxyphenyl)butan-1-ol
CID 67671687
1-(2,2-dimethylpropyl)-2-phenylmethoxybenzene
CID 59836559
(2R)-2-(2-phenylmethoxyphenyl)propanoic acid
CID 129363475
1-(2-phenylmethoxyphenyl)propane-1,2,3-triol
CID 170819028
(2-hydroxy-3-phenylmethoxyphenyl)methanediol
CID 155107233
3-[2-hydroxy-3-(2-phenylmethoxyphenyl)propyl]sulfanyl-2-methylpropanoic acid
CID 70387818

Frequently Asked Questions

What is the IUPAC name of 1-[1,3-bis(2-phenylmethoxyphenyl)propan-2-yl]-2-phenylmethoxybenzene?
The IUPAC name of 1-[1,3-bis(2-phenylmethoxyphenyl)propan-2-yl]-2-phenylmethoxybenzene (CID 123524365) is 1-[1,3-bis(2-phenylmethoxyphenyl)propan-2-yl]-2-phenylmethoxybenzene.
What is the SMILES notation for 1-[1,3-bis(2-phenylmethoxyphenyl)propan-2-yl]-2-phenylmethoxybenzene?
The canonical SMILES for 1-[1,3-bis(2-phenylmethoxyphenyl)propan-2-yl]-2-phenylmethoxybenzene is c1ccc(COc2ccccc2CC(Cc2ccccc2OCc2ccccc2)c2ccccc2OCc2ccccc2)cc1.
What is the InChIKey of 1-[1,3-bis(2-phenylmethoxyphenyl)propan-2-yl]-2-phenylmethoxybenzene?
The InChIKey is KGYJHDARMYXDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H38O3/c1-4-16-33(17-5-1)30-43-40-25-13-10-22-36(40)28-38(39-24-12-15-27-42(39)45-32-35-20-8-3-9-21-35)29-37-23-11-14-26-41(37)44-31-34-18-6-2-7-19-34/h1-27,38H,28-32H2.
What are the key properties of 1-[1,3-bis(2-phenylmethoxyphenyl)propan-2-yl]-2-phenylmethoxybenzene?
1-[1,3-bis(2-phenylmethoxyphenyl)propan-2-yl]-2-phenylmethoxybenzene has a molecular weight of 590.76 g/mol, XLogP of 9.99, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-bis(2-phenylmethoxyphenyl)propan-2-yl]-2-phenylmethoxybenzene is sourced from PubChem (CID 123524365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).