[(Z)-3-chloroprop-2-enoxy]methylbenzene

C10H11ClO — CID 131246507

IUPAC[(Z)-3-chloroprop-2-enoxy]methylbenzene
SMILESCl/C=C\COCc1ccccc1
InChIInChI=1S/C10H11ClO/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-7H,8-9H2/b7-4-
InChIKeyAOSBQDUYIWDRFE-DAXSKMNVSA-N
MW182.65 g/mol
LogP2.96
Rot. Bonds4

About [(Z)-3-chloroprop-2-enoxy]methylbenzene

[(Z)-3-chloroprop-2-enoxy]methylbenzene (PubChem CID 131246507) has the molecular formula C10H11ClO and a molecular weight of 182.65 g/mol. Its IUPAC name is [(Z)-3-chloroprop-2-enoxy]methylbenzene.

Molecular Properties

Compound Name[(Z)-3-chloroprop-2-enoxy]methylbenzene
PubChem CID131246507
Molecular FormulaC10H11ClO
Molecular Weight182.65 g/mol
Exact Mass182.05
IUPAC Name[(Z)-3-chloroprop-2-enoxy]methylbenzene
SMILESCl/C=C\COCc1ccccc1
InChIInChI=1S/C10H11ClO/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-7H,8-9H2/b7-4-
InChIKeyAOSBQDUYIWDRFE-DAXSKMNVSA-N
XLogP2.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(E)-4-phenylbut-2-enoxy]methylbenzene
CID 20826226
[(E)-4-iodobut-2-enoxy]methylbenzene
CID 11055319
[(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene
CID 11053131
4-phenylmethoxybut-2-enal
CID 56616610
5-phenylmethoxypent-3-enal
CID 54324259
[(E)-5-phenylmethoxypent-2-enoxy]methylbenzene
CID 10333986
3-phenylmethoxyprop-1-enylboronic acid
CID 71358172
(2E,4E)-6-phenylmethoxyhexa-2,4-dienal
CID 101487921
[(E)-3-phenylmethoxyprop-1-enyl]selanylbenzene
CID 71527754
dichloromethane;phenylmethoxymethylbenzene
CID 174530379
4-phenylmethoxybut-2-enyl methanesulfonate
CID 85381978
(E)-5-phenylmethoxypent-3-en-2-one
CID 11095410

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-chloroprop-2-enoxy]methylbenzene?
The IUPAC name of [(Z)-3-chloroprop-2-enoxy]methylbenzene (CID 131246507) is [(Z)-3-chloroprop-2-enoxy]methylbenzene.
What is the SMILES notation for [(Z)-3-chloroprop-2-enoxy]methylbenzene?
The canonical SMILES for [(Z)-3-chloroprop-2-enoxy]methylbenzene is Cl/C=C\COCc1ccccc1.
What is the InChIKey of [(Z)-3-chloroprop-2-enoxy]methylbenzene?
The InChIKey is AOSBQDUYIWDRFE-DAXSKMNVSA-N. The full InChI is InChI=1S/C10H11ClO/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-7H,8-9H2/b7-4-.
What are the key properties of [(Z)-3-chloroprop-2-enoxy]methylbenzene?
[(Z)-3-chloroprop-2-enoxy]methylbenzene has a molecular weight of 182.65 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-chloroprop-2-enoxy]methylbenzene is sourced from PubChem (CID 131246507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).