[4-chloro-3-(4-propan-2-ylphenoxy)phenyl]phosphane

C15H16ClOP — CID 176946416

IUPAC[4-chloro-3-(4-propan-2-ylphenoxy)phenyl]phosphane
SMILESCC(C)c1ccc(Oc2cc(P)ccc2Cl)cc1
InChIInChI=1S/C15H16ClOP/c1-10(2)11-3-5-12(6-4-11)17-15-9-13(18)7-8-14(15)16/h3-10H,18H2,1-2H3
InChIKeyZIHOXBMBAZKPDN-UHFFFAOYSA-N
MW278.72 g/mol
LogP4.76
Rot. Bonds3

About [4-chloro-3-(4-propan-2-ylphenoxy)phenyl]phosphane

[4-chloro-3-(4-propan-2-ylphenoxy)phenyl]phosphane (PubChem CID 176946416) has the molecular formula C15H16ClOP and a molecular weight of 278.72 g/mol. Its IUPAC name is [4-chloro-3-(4-propan-2-ylphenoxy)phenyl]phosphane.

Molecular Properties

Compound Name[4-chloro-3-(4-propan-2-ylphenoxy)phenyl]phosphane
PubChem CID176946416
Molecular FormulaC15H16ClOP
Molecular Weight278.72 g/mol
Exact Mass278.06
IUPAC Name[4-chloro-3-(4-propan-2-ylphenoxy)phenyl]phosphane
SMILESCC(C)c1ccc(Oc2cc(P)ccc2Cl)cc1
InChIInChI=1S/C15H16ClOP/c1-10(2)11-3-5-12(6-4-11)17-15-9-13(18)7-8-14(15)16/h3-10H,18H2,1-2H3
InChIKeyZIHOXBMBAZKPDN-UHFFFAOYSA-N
XLogP4.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.72
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[4-(2-chloro-5-methylphenoxy)phenyl]ethanamine
CID 63369920
3-chloro-4-(4-propan-2-ylphenoxy)aniline
CID 26189720
1-[4-(2,5-dichlorophenoxy)phenyl]-N-methylethanamine
CID 43285303
(4-propan-2-ylphenyl)phosphane
CID 59263013
4-(bromomethyl)-2-chloro-1-(4-propan-2-ylphenoxy)benzene
CID 107086695
4-methyl-3-(4-propan-2-ylphenoxy)aniline
CID 155433623
1-[3-chloro-4-(4-propan-2-ylphenoxy)phenyl]ethanone
CID 63533562
N-methyl-1-[4-(2,4,5-trichlorophenoxy)phenyl]ethanamine
CID 43285096
1,3-bis(2-chloro-4-propan-2-ylphenoxy)-5-propan-2-ylbenzene
CID 59573981
1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanol
CID 43506602
1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine
CID 43352001
(2-phenoxy-4-propan-2-ylphenyl)phosphane
CID 142274880

Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-(4-propan-2-ylphenoxy)phenyl]phosphane?
The IUPAC name of [4-chloro-3-(4-propan-2-ylphenoxy)phenyl]phosphane (CID 176946416) is [4-chloro-3-(4-propan-2-ylphenoxy)phenyl]phosphane.
What is the SMILES notation for [4-chloro-3-(4-propan-2-ylphenoxy)phenyl]phosphane?
The canonical SMILES for [4-chloro-3-(4-propan-2-ylphenoxy)phenyl]phosphane is CC(C)c1ccc(Oc2cc(P)ccc2Cl)cc1.
What is the InChIKey of [4-chloro-3-(4-propan-2-ylphenoxy)phenyl]phosphane?
The InChIKey is ZIHOXBMBAZKPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClOP/c1-10(2)11-3-5-12(6-4-11)17-15-9-13(18)7-8-14(15)16/h3-10H,18H2,1-2H3.
What are the key properties of [4-chloro-3-(4-propan-2-ylphenoxy)phenyl]phosphane?
[4-chloro-3-(4-propan-2-ylphenoxy)phenyl]phosphane has a molecular weight of 278.72 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-3-(4-propan-2-ylphenoxy)phenyl]phosphane is sourced from PubChem (CID 176946416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).