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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Related Compounds

octadecan-8-yl formate
CID 171797323
5-pentacosylbenzene-1,3-diol
CID 159617875
5-icosylbenzene-1,3-diol
CID 15775324
hexatriacontan-18-yl formate
CID 144696165
CID 175718629
CID 175718629
5-[6-(3,5-dihydroxyphenyl)hexyl]benzene-1,3-diol
CID 71394044
5-[18-(3,5-dihydroxyphenyl)octadecyl]benzene-1,3-diol
CID 101039631
5-[(E)-pentadec-8-enyl]benzene-1,3-diol
CID 6916254
5-[(E)-pentadec-10-enyl]benzene-1,3-diol
CID 101304434
5-tridec-8-enylbenzene-1,3-diol
CID 53436336
[3-hydroxy-5-[(11R)-11-methyltetradecyl]phenyl] hydrogen sulfate
CID 162816604
11-(3,5-dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-(8-hydroxyundecyl)benzoate;11-(3,5-dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-[(E)-9-methylundec-7-enyl]benzoate;5-(8-hydroxyundecyl)benzene-1,3-diol
CID 161415621

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).