(2-ethyl-1-phenylheptyl) formate

C16H24O2 — CID 174539302

IUPAC(2-ethyl-1-phenylheptyl) formate
SMILESCCCCCC(CC)C(OC=O)c1ccccc1
InChIInChI=1S/C16H24O2/c1-3-5-7-10-14(4-2)16(18-13-17)15-11-8-6-9-12-15/h6,8-9,11-14,16H,3-5,7,10H2,1-2H3
InChIKeyUCAQUPLDUGTWEQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.51
Rot. Bonds9

About (2-ethyl-1-phenylheptyl) formate

(2-ethyl-1-phenylheptyl) formate (PubChem CID 174539302) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (2-ethyl-1-phenylheptyl) formate.

Molecular Properties

Compound Name(2-ethyl-1-phenylheptyl) formate
PubChem CID174539302
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(2-ethyl-1-phenylheptyl) formate
SMILESCCCCCC(CC)C(OC=O)c1ccccc1
InChIInChI=1S/C16H24O2/c1-3-5-7-10-14(4-2)16(18-13-17)15-11-8-6-9-12-15/h6,8-9,11-14,16H,3-5,7,10H2,1-2H3
InChIKeyUCAQUPLDUGTWEQ-UHFFFAOYSA-N
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(2-ethyl-1-phenyldecyl) formate
CID 174631629
1-phenylheptyl formate
CID 174746901
1-phenylnonyl formate
CID 174585088
1-phenyldodecyl formate
CID 91598065
(2-ethyl-1-phenylhexyl) hydrogen carbonate
CID 176898720
1-phenylpentyl formate
CID 54289292
1-(4-phenylsulfanylphenyl)octyl formate
CID 174853555
[(1R)-1-diethoxyphosphorylheptyl]benzene
CID 166637247
N-(2-ethyl-1-phenylhexyl)formamide
CID 138546224
[(Z,3R)-1-phenyloct-1-en-3-yl] formate
CID 124646763
[(1S)-2-amino-1-phenylpropyl] formate
CID 118541108
octan-3-ylbenzene
CID 519547

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1-phenylheptyl) formate?
The IUPAC name of (2-ethyl-1-phenylheptyl) formate (CID 174539302) is (2-ethyl-1-phenylheptyl) formate.
What is the SMILES notation for (2-ethyl-1-phenylheptyl) formate?
The canonical SMILES for (2-ethyl-1-phenylheptyl) formate is CCCCCC(CC)C(OC=O)c1ccccc1.
What is the InChIKey of (2-ethyl-1-phenylheptyl) formate?
The InChIKey is UCAQUPLDUGTWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-3-5-7-10-14(4-2)16(18-13-17)15-11-8-6-9-12-15/h6,8-9,11-14,16H,3-5,7,10H2,1-2H3.
What are the key properties of (2-ethyl-1-phenylheptyl) formate?
(2-ethyl-1-phenylheptyl) formate has a molecular weight of 248.37 g/mol, XLogP of 4.51, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1-phenylheptyl) formate is sourced from PubChem (CID 174539302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).