carbonochloridic acid;1-chloro-4-(2-methylcyclobutyl)benzene

C12H14Cl2O2 — CID 88785384

IUPACcarbonochloridic acid;1-chloro-4-(2-methylcyclobutyl)benzene
SMILESCC1CCC1c1ccc(Cl)cc1.O=C(O)Cl
InChIInChI=1S/C11H13Cl.CHClO2/c1-8-2-7-11(8)9-3-5-10(12)6-4-9;2-1(3)4/h3-6,8,11H,2,7H2,1H3;(H,3,4)
InChIKeyHXWYXBNCKGYGCN-UHFFFAOYSA-N
MW261.15 g/mol
LogP4.76
Rot. Bonds1

About carbonochloridic acid;1-chloro-4-(2-methylcyclobutyl)benzene

carbonochloridic acid;1-chloro-4-(2-methylcyclobutyl)benzene (PubChem CID 88785384) has the molecular formula C12H14Cl2O2 and a molecular weight of 261.15 g/mol. Its IUPAC name is carbonochloridic acid;1-chloro-4-(2-methylcyclobutyl)benzene.

Molecular Properties

Compound Namecarbonochloridic acid;1-chloro-4-(2-methylcyclobutyl)benzene
PubChem CID88785384
Molecular FormulaC12H14Cl2O2
Molecular Weight261.15 g/mol
Exact Mass260.04
IUPAC Namecarbonochloridic acid;1-chloro-4-(2-methylcyclobutyl)benzene
SMILESCC1CCC1c1ccc(Cl)cc1.O=C(O)Cl
InChIInChI=1S/C11H13Cl.CHClO2/c1-8-2-7-11(8)9-3-5-10(12)6-4-9;2-1(3)4/h3-6,8,11H,2,7H2,1H3;(H,3,4)
InChIKeyHXWYXBNCKGYGCN-UHFFFAOYSA-N
XLogP4.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 6993920
(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 70153903
1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]ethanone
CID 1475633
[(1S,2S)-2-methylcyclobutyl]benzene
CID 5314354
2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 23027092
(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 88976035
2-(4-chlorophenyl)-4-propylcyclohexane-1-carboxylic acid
CID 81020573
tert-butyl (1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 70794725
trans-(1R,2R)-2-(4-chlorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 45026975
[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-phenylmethanone
CID 27327097
(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylic acid
CID 10824789
2-(4-chlorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide;ethane
CID 142901928

Frequently Asked Questions

What is the IUPAC name of carbonochloridic acid;1-chloro-4-(2-methylcyclobutyl)benzene?
The IUPAC name of carbonochloridic acid;1-chloro-4-(2-methylcyclobutyl)benzene (CID 88785384) is carbonochloridic acid;1-chloro-4-(2-methylcyclobutyl)benzene.
What is the SMILES notation for carbonochloridic acid;1-chloro-4-(2-methylcyclobutyl)benzene?
The canonical SMILES for carbonochloridic acid;1-chloro-4-(2-methylcyclobutyl)benzene is CC1CCC1c1ccc(Cl)cc1.O=C(O)Cl.
What is the InChIKey of carbonochloridic acid;1-chloro-4-(2-methylcyclobutyl)benzene?
The InChIKey is HXWYXBNCKGYGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl.CHClO2/c1-8-2-7-11(8)9-3-5-10(12)6-4-9;2-1(3)4/h3-6,8,11H,2,7H2,1H3;(H,3,4).
What are the key properties of carbonochloridic acid;1-chloro-4-(2-methylcyclobutyl)benzene?
carbonochloridic acid;1-chloro-4-(2-methylcyclobutyl)benzene has a molecular weight of 261.15 g/mol, XLogP of 4.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonochloridic acid;1-chloro-4-(2-methylcyclobutyl)benzene is sourced from PubChem (CID 88785384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).