1-[chloro(cyclobutyl)methyl]-4-propan-2-yloxybenzene

C14H19ClO — CID 61085826

IUPAC1-[chloro(cyclobutyl)methyl]-4-propan-2-yloxybenzene
SMILESCC(C)Oc1ccc(C(Cl)C2CCC2)cc1
InChIInChI=1S/C14H19ClO/c1-10(2)16-13-8-6-12(7-9-13)14(15)11-4-3-5-11/h6-11,14H,3-5H2,1-2H3
InChIKeyUNRJJWXQYODJTJ-UHFFFAOYSA-N
MW238.76 g/mol
LogP4.55
Rot. Bonds4

About 1-[chloro(cyclobutyl)methyl]-4-propan-2-yloxybenzene

1-[chloro(cyclobutyl)methyl]-4-propan-2-yloxybenzene (PubChem CID 61085826) has the molecular formula C14H19ClO and a molecular weight of 238.76 g/mol. Its IUPAC name is 1-[chloro(cyclobutyl)methyl]-4-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-[chloro(cyclobutyl)methyl]-4-propan-2-yloxybenzene
PubChem CID61085826
Molecular FormulaC14H19ClO
Molecular Weight238.76 g/mol
Exact Mass238.11
IUPAC Name1-[chloro(cyclobutyl)methyl]-4-propan-2-yloxybenzene
SMILESCC(C)Oc1ccc(C(Cl)C2CCC2)cc1
InChIInChI=1S/C14H19ClO/c1-10(2)16-13-8-6-12(7-9-13)14(15)11-4-3-5-11/h6-11,14H,3-5H2,1-2H3
InChIKeyUNRJJWXQYODJTJ-UHFFFAOYSA-N
XLogP4.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[chloro(cyclopropyl)methyl]-4-methoxybenzene
CID 61081177
[(4-butan-2-ylphenyl)-chloromethyl]cyclooctane
CID 65023335
N-[cyclopentyl-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 43492157
2-[2-chloro-2-(4-propan-2-yloxyphenyl)ethyl]oxolane
CID 65158350
N-[cycloheptyl-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 63508835
1-[chloro-(4-methoxyphenyl)methyl]-4-propan-2-yloxybenzene
CID 61085205
2-cyclopentyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 61086888
N-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)ethanamine
CID 83229574
(1S,2R)-2-amino-1-cyclopropyl-2-(4-propan-2-yloxyphenyl)ethanol
CID 171264329
N-(cyclobutylmethyl)-4-propan-2-yloxyaniline
CID 65458952
N-(dicyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 43100411
2-methoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]cyclopentan-1-amine
CID 62087299

Frequently Asked Questions

What is the IUPAC name of 1-[chloro(cyclobutyl)methyl]-4-propan-2-yloxybenzene?
The IUPAC name of 1-[chloro(cyclobutyl)methyl]-4-propan-2-yloxybenzene (CID 61085826) is 1-[chloro(cyclobutyl)methyl]-4-propan-2-yloxybenzene.
What is the SMILES notation for 1-[chloro(cyclobutyl)methyl]-4-propan-2-yloxybenzene?
The canonical SMILES for 1-[chloro(cyclobutyl)methyl]-4-propan-2-yloxybenzene is CC(C)Oc1ccc(C(Cl)C2CCC2)cc1.
What is the InChIKey of 1-[chloro(cyclobutyl)methyl]-4-propan-2-yloxybenzene?
The InChIKey is UNRJJWXQYODJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO/c1-10(2)16-13-8-6-12(7-9-13)14(15)11-4-3-5-11/h6-11,14H,3-5H2,1-2H3.
What are the key properties of 1-[chloro(cyclobutyl)methyl]-4-propan-2-yloxybenzene?
1-[chloro(cyclobutyl)methyl]-4-propan-2-yloxybenzene has a molecular weight of 238.76 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(cyclobutyl)methyl]-4-propan-2-yloxybenzene is sourced from PubChem (CID 61085826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).