2-chloro-5-tetradecan-5-ylbenzene-1,4-diol

C20H33ClO2 — CID 132521617

IUPAC2-chloro-5-tetradecan-5-ylbenzene-1,4-diol
SMILESCCCCCCCCCC(CCCC)c1cc(O)c(Cl)cc1O
InChIInChI=1S/C20H33ClO2/c1-3-5-7-8-9-10-11-13-16(12-6-4-2)17-14-20(23)18(21)15-19(17)22/h14-16,22-23H,3-13H2,1-2H3
InChIKeyGYSWRQFOFBFSMO-UHFFFAOYSA-N
MW340.94 g/mol
LogP7.17
Rot. Bonds12

About 2-chloro-5-tetradecan-5-ylbenzene-1,4-diol

2-chloro-5-tetradecan-5-ylbenzene-1,4-diol (PubChem CID 132521617) has the molecular formula C20H33ClO2 and a molecular weight of 340.94 g/mol. Its IUPAC name is 2-chloro-5-tetradecan-5-ylbenzene-1,4-diol.

Molecular Properties

Compound Name2-chloro-5-tetradecan-5-ylbenzene-1,4-diol
PubChem CID132521617
Molecular FormulaC20H33ClO2
Molecular Weight340.94 g/mol
Exact Mass340.22
IUPAC Name2-chloro-5-tetradecan-5-ylbenzene-1,4-diol
SMILESCCCCCCCCCC(CCCC)c1cc(O)c(Cl)cc1O
InChIInChI=1S/C20H33ClO2/c1-3-5-7-8-9-10-11-13-16(12-6-4-2)17-14-20(23)18(21)15-19(17)22/h14-16,22-23H,3-13H2,1-2H3
InChIKeyGYSWRQFOFBFSMO-UHFFFAOYSA-N
XLogP7.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.94
LogP ≤ 57.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-dodecan-4-yl-5-dodecan-5-ylbenzene-1,4-diol
CID 154127872
4-nonadecan-5-ylbenzene-1,3-diol
CID 171063201
2-pentadecan-6-ylphenol
CID 66865451
2-undecan-5-ylbenzene-1,3-diol
CID 67418377
formaldehyde;2-tridecan-5-ylphenol
CID 130205554
4-chloro-5-methyl-2-octan-2-ylphenol
CID 15788408
2-octadecan-3-ylbenzene-1,4-diol
CID 101149425
4-chloro-6-[1-(5-chloro-2,4-dihydroxyphenyl)butyl]benzene-1,3-diol
CID 22925962
2,4-dichloro-1-octan-4-ylbenzene
CID 130458080
4-chloro-6-heptylbenzene-1,3-diol
CID 23195029
2-tetradecan-3-ylphenol
CID 66866793
2-dodecan-3-ylphenol
CID 12820018

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-tetradecan-5-ylbenzene-1,4-diol?
The IUPAC name of 2-chloro-5-tetradecan-5-ylbenzene-1,4-diol (CID 132521617) is 2-chloro-5-tetradecan-5-ylbenzene-1,4-diol.
What is the SMILES notation for 2-chloro-5-tetradecan-5-ylbenzene-1,4-diol?
The canonical SMILES for 2-chloro-5-tetradecan-5-ylbenzene-1,4-diol is CCCCCCCCCC(CCCC)c1cc(O)c(Cl)cc1O.
What is the InChIKey of 2-chloro-5-tetradecan-5-ylbenzene-1,4-diol?
The InChIKey is GYSWRQFOFBFSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33ClO2/c1-3-5-7-8-9-10-11-13-16(12-6-4-2)17-14-20(23)18(21)15-19(17)22/h14-16,22-23H,3-13H2,1-2H3.
What are the key properties of 2-chloro-5-tetradecan-5-ylbenzene-1,4-diol?
2-chloro-5-tetradecan-5-ylbenzene-1,4-diol has a molecular weight of 340.94 g/mol, XLogP of 7.17, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-tetradecan-5-ylbenzene-1,4-diol is sourced from PubChem (CID 132521617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).