(4-decoxyphenyl) formate

C17H26O3 — CID 54244817

IUPAC(4-decoxyphenyl) formate
SMILESCCCCCCCCCCOc1ccc(OC=O)cc1
InChIInChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-9-14-19-16-10-12-17(13-11-16)20-15-18/h10-13,15H,2-9,14H2,1H3
InChIKeyBEKYYDHCOMWUAC-UHFFFAOYSA-N
MW278.39 g/mol
LogP4.74
Rot. Bonds12

About (4-decoxyphenyl) formate

(4-decoxyphenyl) formate (PubChem CID 54244817) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is (4-decoxyphenyl) formate.

Molecular Properties

Compound Name(4-decoxyphenyl) formate
PubChem CID54244817
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name(4-decoxyphenyl) formate
SMILESCCCCCCCCCCOc1ccc(OC=O)cc1
InChIInChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-9-14-19-16-10-12-17(13-11-16)20-15-18/h10-13,15H,2-9,14H2,1H3
InChIKeyBEKYYDHCOMWUAC-UHFFFAOYSA-N
XLogP4.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 54.74
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

1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1,4-dipentoxybenzene
CID 18314717
4-icosoxybenzaldehyde
CID 23127488
(4-butoxyphenyl) 4-formyloxybenzoate
CID 101317505
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
ethanol;4-octadecoxybenzaldehyde
CID 158692714
4-(4-decoxyphenoxy)benzaldehyde
CID 22713263
1-methoxy-4-tetradecoxybenzene
CID 91712423
(E)-3-(4-nonoxyphenyl)prop-2-enal
CID 87527028
bis(4-hexoxyphenyl) (E)-but-2-enedioate
CID 21029008

Frequently Asked Questions

What is the IUPAC name of (4-decoxyphenyl) formate?
The IUPAC name of (4-decoxyphenyl) formate (CID 54244817) is (4-decoxyphenyl) formate.
What is the SMILES notation for (4-decoxyphenyl) formate?
The canonical SMILES for (4-decoxyphenyl) formate is CCCCCCCCCCOc1ccc(OC=O)cc1.
What is the InChIKey of (4-decoxyphenyl) formate?
The InChIKey is BEKYYDHCOMWUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-9-14-19-16-10-12-17(13-11-16)20-15-18/h10-13,15H,2-9,14H2,1H3.
What are the key properties of (4-decoxyphenyl) formate?
(4-decoxyphenyl) formate has a molecular weight of 278.39 g/mol, XLogP of 4.74, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-decoxyphenyl) formate is sourced from PubChem (CID 54244817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).