5-[(4-phenoxyphenyl)methoxy]pentan-1-ol

C18H22O3 — CID 22357963

IUPAC5-[(4-phenoxyphenyl)methoxy]pentan-1-ol
SMILESOCCCCCOCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H22O3/c19-13-5-2-6-14-20-15-16-9-11-18(12-10-16)21-17-7-3-1-4-8-17/h1,3-4,7-12,19H,2,5-6,13-15H2
InChIKeyMQAPEIJHTNWUQN-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.16
Rot. Bonds9

About 5-[(4-phenoxyphenyl)methoxy]pentan-1-ol

5-[(4-phenoxyphenyl)methoxy]pentan-1-ol (PubChem CID 22357963) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 5-[(4-phenoxyphenyl)methoxy]pentan-1-ol.

Molecular Properties

Compound Name5-[(4-phenoxyphenyl)methoxy]pentan-1-ol
PubChem CID22357963
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name5-[(4-phenoxyphenyl)methoxy]pentan-1-ol
SMILESOCCCCCOCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H22O3/c19-13-5-2-6-14-20-15-16-9-11-18(12-10-16)21-17-7-3-1-4-8-17/h1,3-4,7-12,19H,2,5-6,13-15H2
InChIKeyMQAPEIJHTNWUQN-UHFFFAOYSA-N
XLogP4.16
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.16
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

5-(5-phenylmethoxypentoxy)pentan-1-ol
CID 155584786
4-[2-[2-(6-phenylmethoxyhexoxy)ethoxy]ethoxy]butan-1-ol
CID 164592846
5-(4-phenoxyphenoxy)pentan-1-ol
CID 62229008
6-[[4-(2-hydroxyethoxy)phenyl]methoxy]hexan-1-ol
CID 126733127
acetic acid;5-phenylmethoxypentan-1-ol
CID 71441282
1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene
CID 101026265
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
7-phenoxyheptan-1-ol
CID 15856264
(7S)-7,10-bis(phenylmethoxy)decan-1-ol
CID 25269371
1,3,5-tris[5-[3,5-bis[5-[3,5-bis(5-phenylmethoxypentoxy)phenoxy]pentoxy]phenoxy]pentoxy]benzene
CID 134929469
4-phenylmethoxybutoxyboronic acid
CID 101443000
2-(7-phenylmethoxyheptyl)propane-1,3-diol
CID 10612787

Frequently Asked Questions

What is the IUPAC name of 5-[(4-phenoxyphenyl)methoxy]pentan-1-ol?
The IUPAC name of 5-[(4-phenoxyphenyl)methoxy]pentan-1-ol (CID 22357963) is 5-[(4-phenoxyphenyl)methoxy]pentan-1-ol.
What is the SMILES notation for 5-[(4-phenoxyphenyl)methoxy]pentan-1-ol?
The canonical SMILES for 5-[(4-phenoxyphenyl)methoxy]pentan-1-ol is OCCCCCOCc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 5-[(4-phenoxyphenyl)methoxy]pentan-1-ol?
The InChIKey is MQAPEIJHTNWUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c19-13-5-2-6-14-20-15-16-9-11-18(12-10-16)21-17-7-3-1-4-8-17/h1,3-4,7-12,19H,2,5-6,13-15H2.
What are the key properties of 5-[(4-phenoxyphenyl)methoxy]pentan-1-ol?
5-[(4-phenoxyphenyl)methoxy]pentan-1-ol has a molecular weight of 286.37 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-phenoxyphenyl)methoxy]pentan-1-ol is sourced from PubChem (CID 22357963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).