4-[3,5-bis(phenylmethoxy)phenyl]butan-1-ol

C24H26O3 — CID 160694879

IUPAC4-[3,5-bis(phenylmethoxy)phenyl]butan-1-ol
SMILESOCCCCc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1
InChIInChI=1S/C24H26O3/c25-14-8-7-13-22-15-23(26-18-20-9-3-1-4-10-20)17-24(16-22)27-19-21-11-5-2-6-12-21/h1-6,9-12,15-17,25H,7-8,13-14,18-19H2
InChIKeyCXXITODKTPSYQK-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.16
Rot. Bonds10

About 4-[3,5-bis(phenylmethoxy)phenyl]butan-1-ol

4-[3,5-bis(phenylmethoxy)phenyl]butan-1-ol (PubChem CID 160694879) has the molecular formula C24H26O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 4-[3,5-bis(phenylmethoxy)phenyl]butan-1-ol.

Molecular Properties

Compound Name4-[3,5-bis(phenylmethoxy)phenyl]butan-1-ol
PubChem CID160694879
Molecular FormulaC24H26O3
Molecular Weight362.47 g/mol
Exact Mass362.19
IUPAC Name4-[3,5-bis(phenylmethoxy)phenyl]butan-1-ol
SMILESOCCCCc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1
InChIInChI=1S/C24H26O3/c25-14-8-7-13-22-15-23(26-18-20-9-3-1-4-10-20)17-24(16-22)27-19-21-11-5-2-6-12-21/h1-6,9-12,15-17,25H,7-8,13-14,18-19H2
InChIKeyCXXITODKTPSYQK-UHFFFAOYSA-N
XLogP5.16
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 15385707
3-[[3,5-bis[3-[[3,5-bis(phenylmethoxy)phenyl]methoxy]propoxy]phenyl]methoxy]propan-1-ol
CID 100984573
6-[3-(pyridin-4-ylmethoxy)phenyl]hexan-1-ol;hydrochloride
CID 70510799
3-[[3-[[3-[[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenol
CID 101175071
6-(3-phenoxyphenyl)hexan-1-ol
CID 70473652
2-(2,6-difluoro-4-phenylmethoxyphenyl)ethanol
CID 134414342
3-[2,5-bis(phenylmethoxy)phenyl]propan-1-ol
CID 86006432
1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
CID 102395902
[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine
CID 101273679
6-[3-[[3-ethyl-5-[[3-hexoxy-5-(6-hydroxyhexyl)phenyl]methoxy]phenoxy]methyl]-5-hexoxyphenyl]hexan-1-ol
CID 162478349
[2,6-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 101008055
1-iodo-3,5-bis(phenylmethoxy)benzene
CID 15389195

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis(phenylmethoxy)phenyl]butan-1-ol?
The IUPAC name of 4-[3,5-bis(phenylmethoxy)phenyl]butan-1-ol (CID 160694879) is 4-[3,5-bis(phenylmethoxy)phenyl]butan-1-ol.
What is the SMILES notation for 4-[3,5-bis(phenylmethoxy)phenyl]butan-1-ol?
The canonical SMILES for 4-[3,5-bis(phenylmethoxy)phenyl]butan-1-ol is OCCCCc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1.
What is the InChIKey of 4-[3,5-bis(phenylmethoxy)phenyl]butan-1-ol?
The InChIKey is CXXITODKTPSYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O3/c25-14-8-7-13-22-15-23(26-18-20-9-3-1-4-10-20)17-24(16-22)27-19-21-11-5-2-6-12-21/h1-6,9-12,15-17,25H,7-8,13-14,18-19H2.
What are the key properties of 4-[3,5-bis(phenylmethoxy)phenyl]butan-1-ol?
4-[3,5-bis(phenylmethoxy)phenyl]butan-1-ol has a molecular weight of 362.47 g/mol, XLogP of 5.16, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis(phenylmethoxy)phenyl]butan-1-ol is sourced from PubChem (CID 160694879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).