(7-oxo-7-phenylheptyl) formate

C14H18O3 — CID 87851499

IUPAC(7-oxo-7-phenylheptyl) formate
SMILESO=COCCCCCCC(=O)c1ccccc1
InChIInChI=1S/C14H18O3/c15-12-17-11-7-2-1-6-10-14(16)13-8-4-3-5-9-13/h3-5,8-9,12H,1-2,6-7,10-11H2
InChIKeyNOIVDMDFWDSBMT-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.99
Rot. Bonds9

About (7-oxo-7-phenylheptyl) formate

(7-oxo-7-phenylheptyl) formate (PubChem CID 87851499) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is (7-oxo-7-phenylheptyl) formate.

Molecular Properties

Compound Name(7-oxo-7-phenylheptyl) formate
PubChem CID87851499
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name(7-oxo-7-phenylheptyl) formate
SMILESO=COCCCCCCC(=O)c1ccccc1
InChIInChI=1S/C14H18O3/c15-12-17-11-7-2-1-6-10-14(16)13-8-4-3-5-9-13/h3-5,8-9,12H,1-2,6-7,10-11H2
InChIKeyNOIVDMDFWDSBMT-UHFFFAOYSA-N
XLogP2.99
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.99
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

1,15-diphenylpentadecane-1,15-dione
CID 159981687
2-(3-oxo-3-phenylpropoxy)ethyl formate
CID 134922403
12-hydroxy-1-phenyldodecan-1-one
CID 11482778
6-formyloxyhexanoic acid
CID 15269375
1-phenyloctadecane-1,17-dione
CID 70545901
1-phenylheptadecan-1-one
CID 577626
1-phenyldodecane-1,11-dione
CID 13147766
amino 9-oxo-9-phenylnonanoate
CID 174840256
bis[(13-oxo-13-phenyltridecanoyl)oxy]alumanyl 13-oxo-13-phenyltridecanoate
CID 140673625
1-phenylheptane-1,6-dione
CID 11333176
4-methoxy-1-phenylbutan-1-one;hydrochloride
CID 172691483
1,8-diphenyloctane-1,3,8-trione
CID 140639735

Frequently Asked Questions

What is the IUPAC name of (7-oxo-7-phenylheptyl) formate?
The IUPAC name of (7-oxo-7-phenylheptyl) formate (CID 87851499) is (7-oxo-7-phenylheptyl) formate.
What is the SMILES notation for (7-oxo-7-phenylheptyl) formate?
The canonical SMILES for (7-oxo-7-phenylheptyl) formate is O=COCCCCCCC(=O)c1ccccc1.
What is the InChIKey of (7-oxo-7-phenylheptyl) formate?
The InChIKey is NOIVDMDFWDSBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c15-12-17-11-7-2-1-6-10-14(16)13-8-4-3-5-9-13/h3-5,8-9,12H,1-2,6-7,10-11H2.
What are the key properties of (7-oxo-7-phenylheptyl) formate?
(7-oxo-7-phenylheptyl) formate has a molecular weight of 234.30 g/mol, XLogP of 2.99, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-oxo-7-phenylheptyl) formate is sourced from PubChem (CID 87851499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).