4-[4-(4-chlorophenyl)hexan-2-yl]phenol

C18H21ClO — CID 130398550

IUPAC4-[4-(4-chlorophenyl)hexan-2-yl]phenol
SMILESCCC(CC(C)c1ccc(O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClO/c1-3-14(16-4-8-17(19)9-5-16)12-13(2)15-6-10-18(20)11-7-15/h4-11,13-14,20H,3,12H2,1-2H3
InChIKeyWOVXUTADOUDKKO-UHFFFAOYSA-N
MW288.82 g/mol
LogP5.73
Rot. Bonds5

About 4-[4-(4-chlorophenyl)hexan-2-yl]phenol

4-[4-(4-chlorophenyl)hexan-2-yl]phenol (PubChem CID 130398550) has the molecular formula C18H21ClO and a molecular weight of 288.82 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)hexan-2-yl]phenol.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)hexan-2-yl]phenol
PubChem CID130398550
Molecular FormulaC18H21ClO
Molecular Weight288.82 g/mol
Exact Mass288.13
IUPAC Name4-[4-(4-chlorophenyl)hexan-2-yl]phenol
SMILESCCC(CC(C)c1ccc(O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClO/c1-3-14(16-4-8-17(19)9-5-16)12-13(2)15-6-10-18(20)11-7-15/h4-11,13-14,20H,3,12H2,1-2H3
InChIKeyWOVXUTADOUDKKO-UHFFFAOYSA-N
XLogP5.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.82
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[5-(4-methoxyphenyl)hexan-3-yl]phenol
CID 20681979
[4-[4-(4-chlorophenyl)hexan-2-yl]phenyl]-diphenylphosphane
CID 121259334
1-butan-2-yl-4-[5-(4-pentan-3-ylphenyl)hexan-3-yl]benzene
CID 54004386
4-[4-[4-(1-ethoxyethoxy)phenyl]hexan-2-yl]phenol
CID 23556512
2-(hydroxymethyl)-4-[5-(4-hydroxyphenyl)hexan-3-yl]phenol
CID 23391465
4-[6-(4-hydroxyphenyl)octan-2-yl]phenol
CID 23550616
1-butan-2-yl-4-chlorobenzene;ethane
CID 91162250
4-[4,6,8-tris(4-aminophenyl)decan-2-yl]aniline
CID 134463641
4-(1-ethyl-3-pyridin-4-ylbutyl)pyridine
CID 18346387
1-butan-2-yl-4-(4,6-diphenyloctan-2-yl)benzene
CID 23386381
[4-[2-(4-hydroxyphenyl)-6-phenyloctan-4-yl]phenyl] 2,2-dimethylpropanoate
CID 54232468
4-[6-[4-[dimethyl(trimethylsilyl)silyl]phenyl]-2-(4-methylphenyl)octan-4-yl]phenol;methane;4-[2-(4-methylphenyl)-6-(4-trimethylsilylphenyl)octan-4-yl]phenol
CID 159821524

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)hexan-2-yl]phenol?
The IUPAC name of 4-[4-(4-chlorophenyl)hexan-2-yl]phenol (CID 130398550) is 4-[4-(4-chlorophenyl)hexan-2-yl]phenol.
What is the SMILES notation for 4-[4-(4-chlorophenyl)hexan-2-yl]phenol?
The canonical SMILES for 4-[4-(4-chlorophenyl)hexan-2-yl]phenol is CCC(CC(C)c1ccc(O)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-[4-(4-chlorophenyl)hexan-2-yl]phenol?
The InChIKey is WOVXUTADOUDKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO/c1-3-14(16-4-8-17(19)9-5-16)12-13(2)15-6-10-18(20)11-7-15/h4-11,13-14,20H,3,12H2,1-2H3.
What are the key properties of 4-[4-(4-chlorophenyl)hexan-2-yl]phenol?
4-[4-(4-chlorophenyl)hexan-2-yl]phenol has a molecular weight of 288.82 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)hexan-2-yl]phenol is sourced from PubChem (CID 130398550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).