chloro-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]-(2-methoxyphenyl)phosphane

C14H16ClO2P — CID 143982586

IUPACchloro-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]-(2-methoxyphenyl)phosphane
SMILESC=C/C(OC)=C(\C=C)P(Cl)c1ccccc1OC
InChIInChI=1S/C14H16ClO2P/c1-5-11(16-3)13(6-2)18(15)14-10-8-7-9-12(14)17-4/h5-10H,1-2H2,3-4H3/b13-11-
InChIKeyDROFAWFQSJWGBL-QBFSEMIESA-N
MW282.71 g/mol
LogP4.19
Rot. Bonds6

About chloro-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]-(2-methoxyphenyl)phosphane

chloro-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]-(2-methoxyphenyl)phosphane (PubChem CID 143982586) has the molecular formula C14H16ClO2P and a molecular weight of 282.71 g/mol. Its IUPAC name is chloro-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]-(2-methoxyphenyl)phosphane.

Molecular Properties

Compound Namechloro-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]-(2-methoxyphenyl)phosphane
PubChem CID143982586
Molecular FormulaC14H16ClO2P
Molecular Weight282.71 g/mol
Exact Mass282.06
IUPAC Namechloro-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]-(2-methoxyphenyl)phosphane
SMILESC=C/C(OC)=C(\C=C)P(Cl)c1ccccc1OC
InChIInChI=1S/C14H16ClO2P/c1-5-11(16-3)13(6-2)18(15)14-10-8-7-9-12(14)17-4/h5-10H,1-2H2,3-4H3/b13-11-
InChIKeyDROFAWFQSJWGBL-QBFSEMIESA-N
XLogP4.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.71
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]-(2-methoxyphenyl)phosphane?
The IUPAC name of chloro-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]-(2-methoxyphenyl)phosphane (CID 143982586) is chloro-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]-(2-methoxyphenyl)phosphane.
What is the SMILES notation for chloro-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]-(2-methoxyphenyl)phosphane?
The canonical SMILES for chloro-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]-(2-methoxyphenyl)phosphane is C=C/C(OC)=C(\C=C)P(Cl)c1ccccc1OC.
What is the InChIKey of chloro-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]-(2-methoxyphenyl)phosphane?
The InChIKey is DROFAWFQSJWGBL-QBFSEMIESA-N. The full InChI is InChI=1S/C14H16ClO2P/c1-5-11(16-3)13(6-2)18(15)14-10-8-7-9-12(14)17-4/h5-10H,1-2H2,3-4H3/b13-11-.
What are the key properties of chloro-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]-(2-methoxyphenyl)phosphane?
chloro-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]-(2-methoxyphenyl)phosphane has a molecular weight of 282.71 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]-(2-methoxyphenyl)phosphane is sourced from PubChem (CID 143982586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).