(6-dimethoxyphosphorylcyclohexa-2,4-dien-1-yl)methylbenzene

C15H19O3P — CID 100962417

IUPAC(6-dimethoxyphosphorylcyclohexa-2,4-dien-1-yl)methylbenzene
SMILESCOP(=O)(OC)C1C=CC=CC1Cc1ccccc1
InChIInChI=1S/C15H19O3P/c1-17-19(16,18-2)15-11-7-6-10-14(15)12-13-8-4-3-5-9-13/h3-11,14-15H,12H2,1-2H3
InChIKeyLGFHUXUJFVZBDR-UHFFFAOYSA-N
MW278.29 g/mol
LogP3.83
Rot. Bonds5

About (6-dimethoxyphosphorylcyclohexa-2,4-dien-1-yl)methylbenzene

(6-dimethoxyphosphorylcyclohexa-2,4-dien-1-yl)methylbenzene (PubChem CID 100962417) has the molecular formula C15H19O3P and a molecular weight of 278.29 g/mol. Its IUPAC name is (6-dimethoxyphosphorylcyclohexa-2,4-dien-1-yl)methylbenzene.

Molecular Properties

Compound Name(6-dimethoxyphosphorylcyclohexa-2,4-dien-1-yl)methylbenzene
PubChem CID100962417
Molecular FormulaC15H19O3P
Molecular Weight278.29 g/mol
Exact Mass278.11
IUPAC Name(6-dimethoxyphosphorylcyclohexa-2,4-dien-1-yl)methylbenzene
SMILESCOP(=O)(OC)C1C=CC=CC1Cc1ccccc1
InChIInChI=1S/C15H19O3P/c1-17-19(16,18-2)15-11-7-6-10-14(15)12-13-8-4-3-5-9-13/h3-11,14-15H,12H2,1-2H3
InChIKeyLGFHUXUJFVZBDR-UHFFFAOYSA-N
XLogP3.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 53.83
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

(1S,2S,5R,6S)-2-benzyl-5,6-bis(methoxymethyl)cyclohex-3-en-1-ol
CID 10564416
5-dimethoxyphosphorylcyclopenta-1,3-diene
CID 15846309
[benzyl(cyclopenta-2,4-dien-1-yl)phosphoryl]methylbenzene
CID 153280955
N-benzyl-N-[[benzyl(2-chloroethyl)amino]-methoxyphosphoryl]-2-chloroethanamine
CID 143387245
[methoxy-[[methoxy(phenoxy)phosphoryl]methyl]phosphoryl]oxybenzene;dihydrate
CID 87979302
dimethoxyphosphorylselanylmethylbenzene
CID 86578734
N-dimethoxyphosphoryl-1-phenylmethanamine
CID 10954934
1-benzyl-4-methyl-1,8a-dihydronaphthalene
CID 163719279
[2-[(4-benzylcyclobuten-1-yl)-methylphosphoryl]cyclobut-2-en-1-yl]methylbenzene
CID 57085324
1-dimethoxyphosphoryl-2-phenylethanamine
CID 12504647
[benzyl(methoxy)phosphoryl]methanol
CID 54224349
6-benzylcyclohexa-2,4-dien-1-one
CID 14833665

Frequently Asked Questions

What is the IUPAC name of (6-dimethoxyphosphorylcyclohexa-2,4-dien-1-yl)methylbenzene?
The IUPAC name of (6-dimethoxyphosphorylcyclohexa-2,4-dien-1-yl)methylbenzene (CID 100962417) is (6-dimethoxyphosphorylcyclohexa-2,4-dien-1-yl)methylbenzene.
What is the SMILES notation for (6-dimethoxyphosphorylcyclohexa-2,4-dien-1-yl)methylbenzene?
The canonical SMILES for (6-dimethoxyphosphorylcyclohexa-2,4-dien-1-yl)methylbenzene is COP(=O)(OC)C1C=CC=CC1Cc1ccccc1.
What is the InChIKey of (6-dimethoxyphosphorylcyclohexa-2,4-dien-1-yl)methylbenzene?
The InChIKey is LGFHUXUJFVZBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19O3P/c1-17-19(16,18-2)15-11-7-6-10-14(15)12-13-8-4-3-5-9-13/h3-11,14-15H,12H2,1-2H3.
What are the key properties of (6-dimethoxyphosphorylcyclohexa-2,4-dien-1-yl)methylbenzene?
(6-dimethoxyphosphorylcyclohexa-2,4-dien-1-yl)methylbenzene has a molecular weight of 278.29 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-dimethoxyphosphorylcyclohexa-2,4-dien-1-yl)methylbenzene is sourced from PubChem (CID 100962417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).