4-chloro-4-(4-propan-2-yloxyphenyl)butan-1-ol

C13H19ClO2 — CID 82366966

IUPAC4-chloro-4-(4-propan-2-yloxyphenyl)butan-1-ol
SMILESCC(C)Oc1ccc(C(Cl)CCCO)cc1
InChIInChI=1S/C13H19ClO2/c1-10(2)16-12-7-5-11(6-8-12)13(14)4-3-9-15/h5-8,10,13,15H,3-4,9H2,1-2H3
InChIKeyFUYICCLFEBVNLL-UHFFFAOYSA-N
MW242.75 g/mol
LogP3.53
Rot. Bonds6

About 4-chloro-4-(4-propan-2-yloxyphenyl)butan-1-ol

4-chloro-4-(4-propan-2-yloxyphenyl)butan-1-ol (PubChem CID 82366966) has the molecular formula C13H19ClO2 and a molecular weight of 242.75 g/mol. Its IUPAC name is 4-chloro-4-(4-propan-2-yloxyphenyl)butan-1-ol.

Molecular Properties

Compound Name4-chloro-4-(4-propan-2-yloxyphenyl)butan-1-ol
PubChem CID82366966
Molecular FormulaC13H19ClO2
Molecular Weight242.75 g/mol
Exact Mass242.11
IUPAC Name4-chloro-4-(4-propan-2-yloxyphenyl)butan-1-ol
SMILESCC(C)Oc1ccc(C(Cl)CCCO)cc1
InChIInChI=1S/C13H19ClO2/c1-10(2)16-12-7-5-11(6-8-12)13(14)4-3-9-15/h5-8,10,13,15H,3-4,9H2,1-2H3
InChIKeyFUYICCLFEBVNLL-UHFFFAOYSA-N
XLogP3.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-4-(4-methylphenyl)butan-1-ol
CID 82366948
copper;3-(4-propan-2-yloxyphenyl)propan-1-ol
CID 70633990
3-cyclopropyl-3-(4-propan-2-yloxyphenyl)propan-1-ol
CID 112508227
2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethanol
CID 43151137
4-chloro-4-(3,4-dichlorophenyl)butan-1-ol
CID 82366996
1-(4-propan-2-yloxyphenyl)butan-1-ol
CID 22486858
1-(1-chloro-2-ethylhexyl)-4-propan-2-yloxybenzene
CID 63432736
1-chloro-1-(4-propan-2-yloxyphenyl)butan-2-one
CID 82161492
4-hydroxy-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 98014339
1-[(1S,4R)-1,4-dichloro-4-(4-methoxyphenyl)butyl]-4-methoxybenzene
CID 125465408
1-[chloro-(4-methoxyphenyl)methyl]-4-propan-2-yloxybenzene
CID 61085205
(5S)-5-hydroxy-5-(4-propan-2-yloxyphenyl)pentanoic acid
CID 28945621

Frequently Asked Questions

What is the IUPAC name of 4-chloro-4-(4-propan-2-yloxyphenyl)butan-1-ol?
The IUPAC name of 4-chloro-4-(4-propan-2-yloxyphenyl)butan-1-ol (CID 82366966) is 4-chloro-4-(4-propan-2-yloxyphenyl)butan-1-ol.
What is the SMILES notation for 4-chloro-4-(4-propan-2-yloxyphenyl)butan-1-ol?
The canonical SMILES for 4-chloro-4-(4-propan-2-yloxyphenyl)butan-1-ol is CC(C)Oc1ccc(C(Cl)CCCO)cc1.
What is the InChIKey of 4-chloro-4-(4-propan-2-yloxyphenyl)butan-1-ol?
The InChIKey is FUYICCLFEBVNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO2/c1-10(2)16-12-7-5-11(6-8-12)13(14)4-3-9-15/h5-8,10,13,15H,3-4,9H2,1-2H3.
What are the key properties of 4-chloro-4-(4-propan-2-yloxyphenyl)butan-1-ol?
4-chloro-4-(4-propan-2-yloxyphenyl)butan-1-ol has a molecular weight of 242.75 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-4-(4-propan-2-yloxyphenyl)butan-1-ol is sourced from PubChem (CID 82366966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).