1-phenylpentan-3-yl formate

C12H16O2 — CID 58248129

IUPAC1-phenylpentan-3-yl formate
SMILESCCC(CCc1ccccc1)OC=O
InChIInChI=1S/C12H16O2/c1-2-12(14-10-13)9-8-11-6-4-3-5-7-11/h3-7,10,12H,2,8-9H2,1H3
InChIKeyFAEYSJWBKNUXKX-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.57
Rot. Bonds6

About 1-phenylpentan-3-yl formate

1-phenylpentan-3-yl formate (PubChem CID 58248129) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-phenylpentan-3-yl formate.

Molecular Properties

Compound Name1-phenylpentan-3-yl formate
PubChem CID58248129
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-phenylpentan-3-yl formate
SMILESCCC(CCc1ccccc1)OC=O
InChIInChI=1S/C12H16O2/c1-2-12(14-10-13)9-8-11-6-4-3-5-7-11/h3-7,10,12H,2,8-9H2,1H3
InChIKeyFAEYSJWBKNUXKX-UHFFFAOYSA-N
XLogP2.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-diphenylpropan-2-yl formate
CID 122547977
diphenyl(1-phenylpentan-3-yloxy)phosphane
CID 86075514
(3R)-5-phenyl-3-triethylsilyloxypentanal
CID 87401786
ethane;formic acid;methanamine;[(3S)-3-methylpentyl]benzene
CID 154682352
3,4-dimethylhexylbenzene
CID 72602417
N,N,4-trimethyl-1-phenylhexan-3-amine
CID 54141645
3-(3-phenylpropoxy)pentanoic acid
CID 114992417
1-phenylhexan-3-yl hydrogen carbonate
CID 67178978
[(1R)-1-phenylethyl] formate
CID 76963066
(2S,3R)-2,3-dimethyl-5-phenylpentanal
CID 88857677
1-phenylheptan-3-yl hydrogen carbonate
CID 67177512
5-methylheptylbenzene
CID 564254

Frequently Asked Questions

What is the IUPAC name of 1-phenylpentan-3-yl formate?
The IUPAC name of 1-phenylpentan-3-yl formate (CID 58248129) is 1-phenylpentan-3-yl formate.
What is the SMILES notation for 1-phenylpentan-3-yl formate?
The canonical SMILES for 1-phenylpentan-3-yl formate is CCC(CCc1ccccc1)OC=O.
What is the InChIKey of 1-phenylpentan-3-yl formate?
The InChIKey is FAEYSJWBKNUXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-2-12(14-10-13)9-8-11-6-4-3-5-7-11/h3-7,10,12H,2,8-9H2,1H3.
What are the key properties of 1-phenylpentan-3-yl formate?
1-phenylpentan-3-yl formate has a molecular weight of 192.26 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpentan-3-yl formate is sourced from PubChem (CID 58248129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).