4-[1-chloro-1-(4-hydroxyphenyl)hexyl]phenol

C18H21ClO2 — CID 142671500

IUPAC4-[1-chloro-1-(4-hydroxyphenyl)hexyl]phenol
SMILESCCCCCC(Cl)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H21ClO2/c1-2-3-4-13-18(19,14-5-9-16(20)10-6-14)15-7-11-17(21)12-8-15/h5-12,20-21H,2-4,13H2,1H3
InChIKeyLFCJFIUWAQPQOZ-UHFFFAOYSA-N
MW304.82 g/mol
LogP5.16
Rot. Bonds6

About 4-[1-chloro-1-(4-hydroxyphenyl)hexyl]phenol

4-[1-chloro-1-(4-hydroxyphenyl)hexyl]phenol (PubChem CID 142671500) has the molecular formula C18H21ClO2 and a molecular weight of 304.82 g/mol. Its IUPAC name is 4-[1-chloro-1-(4-hydroxyphenyl)hexyl]phenol.

Molecular Properties

Compound Name4-[1-chloro-1-(4-hydroxyphenyl)hexyl]phenol
PubChem CID142671500
Molecular FormulaC18H21ClO2
Molecular Weight304.82 g/mol
Exact Mass304.12
IUPAC Name4-[1-chloro-1-(4-hydroxyphenyl)hexyl]phenol
SMILESCCCCCC(Cl)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H21ClO2/c1-2-3-4-13-18(19,14-5-9-16(20)10-6-14)15-7-11-17(21)12-8-15/h5-12,20-21H,2-4,13H2,1H3
InChIKeyLFCJFIUWAQPQOZ-UHFFFAOYSA-N
XLogP5.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.82
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[1-hydroxy-1-(4-hydroxyphenyl)hexyl]phenol
CID 176549598
4-(2-hydroxyheptan-2-yl)phenol
CID 83075318
4-[3-(4-hydroxyphenyl)octadecan-3-yl]phenol
CID 139639448
acetaldehyde;4-(2-methylheptan-2-yl)phenol
CID 87674929
4-(2-phenyloctan-2-yl)phenol
CID 174541966
4,4-bis(4-hydroxyphenyl)heptadecanoic acid
CID 68655548
4-[3-(4-hydroxyphenyl)-2-methylheptan-3-yl]phenol
CID 118338638
4-(2-hydroxy-1-phenylundecan-2-yl)phenol
CID 175286085
4-[2-(4-pentylphenyl)propan-2-yl]phenol
CID 174631363
4-[1,1,1,2,2,3-hexafluoro-3,5-bis(4-hydroxyphenyl)decan-5-yl]phenol
CID 118156756
4-[2-(4-hydroxyphenyl)octan-2-yl]benzene-1,2,3-triol
CID 139838646
4-(5,6-dibutylhexadecan-5-yl)phenol
CID 174616529

Frequently Asked Questions

What is the IUPAC name of 4-[1-chloro-1-(4-hydroxyphenyl)hexyl]phenol?
The IUPAC name of 4-[1-chloro-1-(4-hydroxyphenyl)hexyl]phenol (CID 142671500) is 4-[1-chloro-1-(4-hydroxyphenyl)hexyl]phenol.
What is the SMILES notation for 4-[1-chloro-1-(4-hydroxyphenyl)hexyl]phenol?
The canonical SMILES for 4-[1-chloro-1-(4-hydroxyphenyl)hexyl]phenol is CCCCCC(Cl)(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-chloro-1-(4-hydroxyphenyl)hexyl]phenol?
The InChIKey is LFCJFIUWAQPQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO2/c1-2-3-4-13-18(19,14-5-9-16(20)10-6-14)15-7-11-17(21)12-8-15/h5-12,20-21H,2-4,13H2,1H3.
What are the key properties of 4-[1-chloro-1-(4-hydroxyphenyl)hexyl]phenol?
4-[1-chloro-1-(4-hydroxyphenyl)hexyl]phenol has a molecular weight of 304.82 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-chloro-1-(4-hydroxyphenyl)hexyl]phenol is sourced from PubChem (CID 142671500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).