[(E)-2-butoxy-2-chloroethenyl]-chloro-(4-methoxyphenyl)phosphane

C13H17Cl2O2P — CID 134996130

IUPAC[(E)-2-butoxy-2-chloroethenyl]-chloro-(4-methoxyphenyl)phosphane
SMILESCCCCO/C(Cl)=C\P(Cl)c1ccc(OC)cc1
InChIInChI=1S/C13H17Cl2O2P/c1-3-4-9-17-13(14)10-18(15)12-7-5-11(16-2)6-8-12/h5-8,10H,3-4,9H2,1-2H3/b13-10-
InChIKeyJZMFKUXGACQEPW-RAXLEYEMSA-N
MW307.16 g/mol
LogP4.81
Rot. Bonds7

About [(E)-2-butoxy-2-chloroethenyl]-chloro-(4-methoxyphenyl)phosphane

[(E)-2-butoxy-2-chloroethenyl]-chloro-(4-methoxyphenyl)phosphane (PubChem CID 134996130) has the molecular formula C13H17Cl2O2P and a molecular weight of 307.16 g/mol. Its IUPAC name is [(E)-2-butoxy-2-chloroethenyl]-chloro-(4-methoxyphenyl)phosphane.

Molecular Properties

Compound Name[(E)-2-butoxy-2-chloroethenyl]-chloro-(4-methoxyphenyl)phosphane
PubChem CID134996130
Molecular FormulaC13H17Cl2O2P
Molecular Weight307.16 g/mol
Exact Mass306.03
IUPAC Name[(E)-2-butoxy-2-chloroethenyl]-chloro-(4-methoxyphenyl)phosphane
SMILESCCCCO/C(Cl)=C\P(Cl)c1ccc(OC)cc1
InChIInChI=1S/C13H17Cl2O2P/c1-3-4-9-17-13(14)10-18(15)12-7-5-11(16-2)6-8-12/h5-8,10H,3-4,9H2,1-2H3/b13-10-
InChIKeyJZMFKUXGACQEPW-RAXLEYEMSA-N
XLogP4.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.16
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

butoxy-bis(4-methoxyphenyl)phosphane
CID 12682356
chloro-(4-methoxyphenyl)-methylphosphane
CID 18780199
butyl 2-[2-(4-methoxyphenoxy)-2-oxoethoxy]acetate
CID 91699297
butyl 3-(4-methoxyphenyl)prop-2-enoate
CID 53421003
butyl (E)-3-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]prop-2-enoate
CID 56950890
icosyl 4-methoxybenzoate
CID 71438594
bromo-(4-methoxyphenyl)-pentylphosphane
CID 175046504
1-methoxy-4-tetradecoxybenzene
CID 91712423
hexyl 2-[2-(4-methoxyphenoxy)-2-oxoethoxy]acetate
CID 91712216
octyl 2-[2-(4-methoxyphenoxy)-2-oxoethoxy]acetate
CID 91712140
1-(3-butoxyprop-1-enyl)-4-methoxybenzene
CID 72750834
5-(4-methoxyphenyl)nonan-5-ol
CID 15695648

Frequently Asked Questions

What is the IUPAC name of [(E)-2-butoxy-2-chloroethenyl]-chloro-(4-methoxyphenyl)phosphane?
The IUPAC name of [(E)-2-butoxy-2-chloroethenyl]-chloro-(4-methoxyphenyl)phosphane (CID 134996130) is [(E)-2-butoxy-2-chloroethenyl]-chloro-(4-methoxyphenyl)phosphane.
What is the SMILES notation for [(E)-2-butoxy-2-chloroethenyl]-chloro-(4-methoxyphenyl)phosphane?
The canonical SMILES for [(E)-2-butoxy-2-chloroethenyl]-chloro-(4-methoxyphenyl)phosphane is CCCCO/C(Cl)=C\P(Cl)c1ccc(OC)cc1.
What is the InChIKey of [(E)-2-butoxy-2-chloroethenyl]-chloro-(4-methoxyphenyl)phosphane?
The InChIKey is JZMFKUXGACQEPW-RAXLEYEMSA-N. The full InChI is InChI=1S/C13H17Cl2O2P/c1-3-4-9-17-13(14)10-18(15)12-7-5-11(16-2)6-8-12/h5-8,10H,3-4,9H2,1-2H3/b13-10-.
What are the key properties of [(E)-2-butoxy-2-chloroethenyl]-chloro-(4-methoxyphenyl)phosphane?
[(E)-2-butoxy-2-chloroethenyl]-chloro-(4-methoxyphenyl)phosphane has a molecular weight of 307.16 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-butoxy-2-chloroethenyl]-chloro-(4-methoxyphenyl)phosphane is sourced from PubChem (CID 134996130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).