4-chloro-2-hexadecoxyphenol

C22H37ClO2 — CID 19014164

IUPAC4-chloro-2-hexadecoxyphenol
SMILESCCCCCCCCCCCCCCCCOc1cc(Cl)ccc1O
InChIInChI=1S/C22H37ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25-22-19-20(23)16-17-21(22)24/h16-17,19,24H,2-15,18H2,1H3
InChIKeyTVNZAVYSVGBQBA-UHFFFAOYSA-N
MW368.99 g/mol
LogP7.91
Rot. Bonds16

About 4-chloro-2-hexadecoxyphenol

4-chloro-2-hexadecoxyphenol (PubChem CID 19014164) has the molecular formula C22H37ClO2 and a molecular weight of 368.99 g/mol. Its IUPAC name is 4-chloro-2-hexadecoxyphenol.

Molecular Properties

Compound Name4-chloro-2-hexadecoxyphenol
PubChem CID19014164
Molecular FormulaC22H37ClO2
Molecular Weight368.99 g/mol
Exact Mass368.25
IUPAC Name4-chloro-2-hexadecoxyphenol
SMILESCCCCCCCCCCCCCCCCOc1cc(Cl)ccc1O
InChIInChI=1S/C22H37ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25-22-19-20(23)16-17-21(22)24/h16-17,19,24H,2-15,18H2,1H3
InChIKeyTVNZAVYSVGBQBA-UHFFFAOYSA-N
XLogP7.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.99
LogP ≤ 57.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-tetradecoxyphenol
CID 19014152
2-tridecoxyphenol
CID 67178320
5-chloro-2-decoxyaniline
CID 55187694
benzene-1,2-diol;2-hexoxyphenol
CID 70150520
1-(5-chloro-2-heptoxyphenyl)ethanol
CID 63533676
(1S)-1-(5-chloro-2-heptoxyphenyl)ethanol
CID 63533695
(1S)-1-(5-chloro-2-decoxyphenyl)ethanol
CID 78944253
(1S)-1-(5-chloro-2-hexoxyphenyl)ethanol
CID 78931549
4-chloro-2-pentoxybenzonitrile
CID 63094612
(NE)-N-[(5-chloro-2-hexoxyphenyl)methylidene]hydroxylamine
CID 42184829
cobalt;bis(2-decoxyphenol);dihydrate
CID 70521593
4-nonoxybenzene-1,3-diol
CID 66563301

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hexadecoxyphenol?
The IUPAC name of 4-chloro-2-hexadecoxyphenol (CID 19014164) is 4-chloro-2-hexadecoxyphenol.
What is the SMILES notation for 4-chloro-2-hexadecoxyphenol?
The canonical SMILES for 4-chloro-2-hexadecoxyphenol is CCCCCCCCCCCCCCCCOc1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-hexadecoxyphenol?
The InChIKey is TVNZAVYSVGBQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25-22-19-20(23)16-17-21(22)24/h16-17,19,24H,2-15,18H2,1H3.
What are the key properties of 4-chloro-2-hexadecoxyphenol?
4-chloro-2-hexadecoxyphenol has a molecular weight of 368.99 g/mol, XLogP of 7.91, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-hexadecoxyphenol is sourced from PubChem (CID 19014164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).