2-[bis(phenylmethoxy)phosphorylmethoxy]-1-methoxy-4-propan-2-ylbenzene

C25H29O5P — CID 59132481

IUPAC2-[bis(phenylmethoxy)phosphorylmethoxy]-1-methoxy-4-propan-2-ylbenzene
SMILESCOc1ccc(C(C)C)cc1OCP(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C25H29O5P/c1-20(2)23-14-15-24(27-3)25(16-23)28-19-31(26,29-17-21-10-6-4-7-11-21)30-18-22-12-8-5-9-13-22/h4-16,20H,17-19H2,1-3H3
InChIKeyISHSOAQGRBDHJV-UHFFFAOYSA-N
MW440.48 g/mol
LogP6.78
Rot. Bonds11

About 2-[bis(phenylmethoxy)phosphorylmethoxy]-1-methoxy-4-propan-2-ylbenzene

2-[bis(phenylmethoxy)phosphorylmethoxy]-1-methoxy-4-propan-2-ylbenzene (PubChem CID 59132481) has the molecular formula C25H29O5P and a molecular weight of 440.48 g/mol. Its IUPAC name is 2-[bis(phenylmethoxy)phosphorylmethoxy]-1-methoxy-4-propan-2-ylbenzene.

Molecular Properties

Compound Name2-[bis(phenylmethoxy)phosphorylmethoxy]-1-methoxy-4-propan-2-ylbenzene
PubChem CID59132481
Molecular FormulaC25H29O5P
Molecular Weight440.48 g/mol
Exact Mass440.18
IUPAC Name2-[bis(phenylmethoxy)phosphorylmethoxy]-1-methoxy-4-propan-2-ylbenzene
SMILESCOc1ccc(C(C)C)cc1OCP(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C25H29O5P/c1-20(2)23-14-15-24(27-3)25(16-23)28-19-31(26,29-17-21-10-6-4-7-11-21)30-18-22-12-8-5-9-13-22/h4-16,20H,17-19H2,1-3H3
InChIKeyISHSOAQGRBDHJV-UHFFFAOYSA-N
XLogP6.78
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.48
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171212981
(1R)-2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine
CID 66512512
[phenylmethoxy(propan-2-yloxymethyl)phosphoryl]oxymethylbenzene
CID 59131511
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
[acetyloxy-(4-methoxy-3-phenylmethoxyphenyl)methyl] acetate
CID 101183057
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701
4-(1-azidoethyl)-1-methoxy-2-phenylmethoxybenzene
CID 42625428
4-tert-butyl-N-[[(4-tert-butylbenzoyl)amino]-(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide
CID 18890174
2-phenylmethoxy-5-propan-2-ylbenzaldehyde
CID 87719757
propan-2-yl 4-methoxy-3-phenylmethoxybenzoate
CID 82186215
1-(4-methoxy-3-phenylmethoxyphenyl)butan-1-ol
CID 83951248
(1R)-3-fluoro-1-(4-methoxy-3-phenylmethoxyphenyl)propan-1-amine
CID 171213002

Frequently Asked Questions

What is the IUPAC name of 2-[bis(phenylmethoxy)phosphorylmethoxy]-1-methoxy-4-propan-2-ylbenzene?
The IUPAC name of 2-[bis(phenylmethoxy)phosphorylmethoxy]-1-methoxy-4-propan-2-ylbenzene (CID 59132481) is 2-[bis(phenylmethoxy)phosphorylmethoxy]-1-methoxy-4-propan-2-ylbenzene.
What is the SMILES notation for 2-[bis(phenylmethoxy)phosphorylmethoxy]-1-methoxy-4-propan-2-ylbenzene?
The canonical SMILES for 2-[bis(phenylmethoxy)phosphorylmethoxy]-1-methoxy-4-propan-2-ylbenzene is COc1ccc(C(C)C)cc1OCP(=O)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of 2-[bis(phenylmethoxy)phosphorylmethoxy]-1-methoxy-4-propan-2-ylbenzene?
The InChIKey is ISHSOAQGRBDHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29O5P/c1-20(2)23-14-15-24(27-3)25(16-23)28-19-31(26,29-17-21-10-6-4-7-11-21)30-18-22-12-8-5-9-13-22/h4-16,20H,17-19H2,1-3H3.
What are the key properties of 2-[bis(phenylmethoxy)phosphorylmethoxy]-1-methoxy-4-propan-2-ylbenzene?
2-[bis(phenylmethoxy)phosphorylmethoxy]-1-methoxy-4-propan-2-ylbenzene has a molecular weight of 440.48 g/mol, XLogP of 6.78, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(phenylmethoxy)phosphorylmethoxy]-1-methoxy-4-propan-2-ylbenzene is sourced from PubChem (CID 59132481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).