5-(4-phenylmethoxyphenyl)pentyl formate

C19H22O3 — CID 87852449

IUPAC5-(4-phenylmethoxyphenyl)pentyl formate
SMILESO=COCCCCCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H22O3/c20-16-21-14-6-2-5-7-17-10-12-19(13-11-17)22-15-18-8-3-1-4-9-18/h1,3-4,8-13,16H,2,5-7,14-15H2
InChIKeyLLABAGVYUTVOOU-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.15
Rot. Bonds10

About 5-(4-phenylmethoxyphenyl)pentyl formate

5-(4-phenylmethoxyphenyl)pentyl formate (PubChem CID 87852449) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 5-(4-phenylmethoxyphenyl)pentyl formate.

Molecular Properties

Compound Name5-(4-phenylmethoxyphenyl)pentyl formate
PubChem CID87852449
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name5-(4-phenylmethoxyphenyl)pentyl formate
SMILESO=COCCCCCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H22O3/c20-16-21-14-6-2-5-7-17-10-12-19(13-11-17)22-15-18-8-3-1-4-9-18/h1,3-4,8-13,16H,2,5-7,14-15H2
InChIKeyLLABAGVYUTVOOU-UHFFFAOYSA-N
XLogP4.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

18-phenyloctadecyl formate
CID 173425595
6-(5-phenylpentoxy)hexyl formate
CID 87852728
1-(8-methoxyoctyl)-4-phenylmethoxybenzene
CID 15052396
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980
6-(4-phenylmethoxyphenyl)hexanoic acid
CID 138486172
1-(3-methoxypropyl)-4-phenylmethoxybenzene
CID 70548198
1,4-bis(6-phenoxyhexyl)benzene
CID 86175301
1-(3-fluoropropyl)-4-phenylmethoxybenzene
CID 83932928
1-[5-(benzenesulfonyl)pentyl]-4-phenylmethoxybenzene;ethane
CID 155721797
1-hexyl-4-(6-phenylhexoxy)benzene
CID 91256527
lithium 3-(4-phenylmethoxyphenyl)propan-1-olate
CID 70590872
2-[4-(5-phenylpentoxy)phenyl]ethanamine
CID 22929603

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylmethoxyphenyl)pentyl formate?
The IUPAC name of 5-(4-phenylmethoxyphenyl)pentyl formate (CID 87852449) is 5-(4-phenylmethoxyphenyl)pentyl formate.
What is the SMILES notation for 5-(4-phenylmethoxyphenyl)pentyl formate?
The canonical SMILES for 5-(4-phenylmethoxyphenyl)pentyl formate is O=COCCCCCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 5-(4-phenylmethoxyphenyl)pentyl formate?
The InChIKey is LLABAGVYUTVOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c20-16-21-14-6-2-5-7-17-10-12-19(13-11-17)22-15-18-8-3-1-4-9-18/h1,3-4,8-13,16H,2,5-7,14-15H2.
What are the key properties of 5-(4-phenylmethoxyphenyl)pentyl formate?
5-(4-phenylmethoxyphenyl)pentyl formate has a molecular weight of 298.38 g/mol, XLogP of 4.15, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylmethoxyphenyl)pentyl formate is sourced from PubChem (CID 87852449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).