11-(3,5-dihydroxyphenyl)undecan-4-yl formate

C18H28O4 — CID 143149320

IUPAC11-(3,5-dihydroxyphenyl)undecan-4-yl formate
SMILESCCCC(CCCCCCCc1cc(O)cc(O)c1)OC=O
InChIInChI=1S/C18H28O4/c1-2-8-18(22-14-19)10-7-5-3-4-6-9-15-11-16(20)13-17(21)12-15/h11-14,18,20-21H,2-10H2,1H3
InChIKeyBMFLNTYMTXSNCK-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.32
Rot. Bonds12

About 11-(3,5-dihydroxyphenyl)undecan-4-yl formate

11-(3,5-dihydroxyphenyl)undecan-4-yl formate (PubChem CID 143149320) has the molecular formula C18H28O4 and a molecular weight of 308.42 g/mol. Its IUPAC name is 11-(3,5-dihydroxyphenyl)undecan-4-yl formate.

Molecular Properties

Compound Name11-(3,5-dihydroxyphenyl)undecan-4-yl formate
PubChem CID143149320
Molecular FormulaC18H28O4
Molecular Weight308.42 g/mol
Exact Mass308.20
IUPAC Name11-(3,5-dihydroxyphenyl)undecan-4-yl formate
SMILESCCCC(CCCCCCCc1cc(O)cc(O)c1)OC=O
InChIInChI=1S/C18H28O4/c1-2-8-18(22-14-19)10-7-5-3-4-6-9-15-11-16(20)13-17(21)12-15/h11-14,18,20-21H,2-10H2,1H3
InChIKeyBMFLNTYMTXSNCK-UHFFFAOYSA-N
XLogP4.32
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-(3,5-dihydroxyphenyl)undecan-4-yl formate?
The IUPAC name of 11-(3,5-dihydroxyphenyl)undecan-4-yl formate (CID 143149320) is 11-(3,5-dihydroxyphenyl)undecan-4-yl formate.
What is the SMILES notation for 11-(3,5-dihydroxyphenyl)undecan-4-yl formate?
The canonical SMILES for 11-(3,5-dihydroxyphenyl)undecan-4-yl formate is CCCC(CCCCCCCc1cc(O)cc(O)c1)OC=O.
What is the InChIKey of 11-(3,5-dihydroxyphenyl)undecan-4-yl formate?
The InChIKey is BMFLNTYMTXSNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O4/c1-2-8-18(22-14-19)10-7-5-3-4-6-9-15-11-16(20)13-17(21)12-15/h11-14,18,20-21H,2-10H2,1H3.
What are the key properties of 11-(3,5-dihydroxyphenyl)undecan-4-yl formate?
11-(3,5-dihydroxyphenyl)undecan-4-yl formate has a molecular weight of 308.42 g/mol, XLogP of 4.32, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3,5-dihydroxyphenyl)undecan-4-yl formate is sourced from PubChem (CID 143149320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).