(3-methoxy-2-phenylphenoxy)methylidyne-oxo-λ5-phosphane

C14H11O3P — CID 141346597

IUPAC(3-methoxy-2-phenylphenoxy)methylidyne-oxo-λ5-phosphane
SMILESCOc1cccc(OC#P=O)c1-c1ccccc1
InChIInChI=1S/C14H11O3P/c1-16-12-8-5-9-13(17-10-18-15)14(12)11-6-3-2-4-7-11/h2-9H,1H3
InChIKeyKAXQMAZIKYVBID-UHFFFAOYSA-N
MW258.21 g/mol
LogP3.95
Rot. Bonds3

About (3-methoxy-2-phenylphenoxy)methylidyne-oxo-λ5-phosphane

(3-methoxy-2-phenylphenoxy)methylidyne-oxo-λ5-phosphane (PubChem CID 141346597) has the molecular formula C14H11O3P and a molecular weight of 258.21 g/mol. Its IUPAC name is (3-methoxy-2-phenylphenoxy)methylidyne-oxo-λ5-phosphane.

Molecular Properties

Compound Name(3-methoxy-2-phenylphenoxy)methylidyne-oxo-λ5-phosphane
PubChem CID141346597
Molecular FormulaC14H11O3P
Molecular Weight258.21 g/mol
Exact Mass258.04
IUPAC Name(3-methoxy-2-phenylphenoxy)methylidyne-oxo-λ5-phosphane
SMILESCOc1cccc(OC#P=O)c1-c1ccccc1
InChIInChI=1S/C14H11O3P/c1-16-12-8-5-9-13(17-10-18-15)14(12)11-6-3-2-4-7-11/h2-9H,1H3
InChIKeyKAXQMAZIKYVBID-UHFFFAOYSA-N
XLogP3.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethoxy-2-phenylbenzene;hydrochloride
CID 175871248
1-methoxy-2-phenyl-3-(trifluoromethoxy)benzene
CID 18770174
bis(3-methoxy-2-phenylphenyl)methanone
CID 141103935
1,3-dichloro-2-(3-methoxy-2-phenylphenyl)benzene
CID 141041687
2-(3-methoxy-2-phenylphenoxy)ethanol
CID 91364527
(3-methoxy-2-phenylphenyl) trifluoromethanesulfonate
CID 145126504
2-(3-methoxy-2-phenylphenyl)acetaldehyde
CID 88653150
7-methoxy-2-methyl-3-phenylinden-1-one
CID 101034748
2-[3-methoxy-2-(4-methylphenyl)phenyl]acetic acid
CID 69228512
1-methoxy-9,10-diphenylphenanthrene
CID 11439822
2-(3-iodophenyl)-1,3-dimethoxybenzene
CID 11302224
4-methoxy-3-phenylbenzene-1,2-diamine
CID 174361445

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-2-phenylphenoxy)methylidyne-oxo-λ5-phosphane?
The IUPAC name of (3-methoxy-2-phenylphenoxy)methylidyne-oxo-λ5-phosphane (CID 141346597) is (3-methoxy-2-phenylphenoxy)methylidyne-oxo-λ5-phosphane.
What is the SMILES notation for (3-methoxy-2-phenylphenoxy)methylidyne-oxo-λ5-phosphane?
The canonical SMILES for (3-methoxy-2-phenylphenoxy)methylidyne-oxo-λ5-phosphane is COc1cccc(OC#P=O)c1-c1ccccc1.
What is the InChIKey of (3-methoxy-2-phenylphenoxy)methylidyne-oxo-λ5-phosphane?
The InChIKey is KAXQMAZIKYVBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11O3P/c1-16-12-8-5-9-13(17-10-18-15)14(12)11-6-3-2-4-7-11/h2-9H,1H3.
What are the key properties of (3-methoxy-2-phenylphenoxy)methylidyne-oxo-λ5-phosphane?
(3-methoxy-2-phenylphenoxy)methylidyne-oxo-λ5-phosphane has a molecular weight of 258.21 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-2-phenylphenoxy)methylidyne-oxo-λ5-phosphane is sourced from PubChem (CID 141346597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).