1-phenyldodecyl formate

C19H30O2 — CID 91598065

IUPAC1-phenyldodecyl formate
SMILESCCCCCCCCCCCC(OC=O)c1ccccc1
InChIInChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-13-16-19(21-17-20)18-14-11-10-12-15-18/h10-12,14-15,17,19H,2-9,13,16H2,1H3
InChIKeyUDOAGZZETXHWTD-UHFFFAOYSA-N
MW290.45 g/mol
LogP5.82
Rot. Bonds13

About 1-phenyldodecyl formate

1-phenyldodecyl formate (PubChem CID 91598065) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-phenyldodecyl formate.

Molecular Properties

Compound Name1-phenyldodecyl formate
PubChem CID91598065
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name1-phenyldodecyl formate
SMILESCCCCCCCCCCCC(OC=O)c1ccccc1
InChIInChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-13-16-19(21-17-20)18-14-11-10-12-15-18/h10-12,14-15,17,19H,2-9,13,16H2,1H3
InChIKeyUDOAGZZETXHWTD-UHFFFAOYSA-N
XLogP5.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.82
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

1-phenylnonyl formate
CID 174585088
1-phenylheptyl formate
CID 174746901
1-phenylpentyl formate
CID 54289292
1-(4-phenylsulfanylphenyl)octyl formate
CID 174853555
1-(1-phenyloctadecoxy)octadecylbenzene
CID 175415236
(2-ethyl-1-phenyldecyl) formate
CID 174631629
(2-ethyl-1-phenylheptyl) formate
CID 174539302
1-ethoxydecylbenzene
CID 71423896
bis(1-phenyloctyl) carbonate
CID 67179048
1-dodecoxyhexylbenzene
CID 174774790
tris(1-phenylhexyl) phosphate
CID 69250581
tetrakis(1-phenylnonyl carbonate);tin(4+)
CID 162188042

Frequently Asked Questions

What is the IUPAC name of 1-phenyldodecyl formate?
The IUPAC name of 1-phenyldodecyl formate (CID 91598065) is 1-phenyldodecyl formate.
What is the SMILES notation for 1-phenyldodecyl formate?
The canonical SMILES for 1-phenyldodecyl formate is CCCCCCCCCCCC(OC=O)c1ccccc1.
What is the InChIKey of 1-phenyldodecyl formate?
The InChIKey is UDOAGZZETXHWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-13-16-19(21-17-20)18-14-11-10-12-15-18/h10-12,14-15,17,19H,2-9,13,16H2,1H3.
What are the key properties of 1-phenyldodecyl formate?
1-phenyldodecyl formate has a molecular weight of 290.45 g/mol, XLogP of 5.82, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyldodecyl formate is sourced from PubChem (CID 91598065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).