(1-dimethoxyphosphorylcyclohexyl)benzene

C14H21O3P — CID 174740839

IUPAC(1-dimethoxyphosphorylcyclohexyl)benzene
SMILESCOP(=O)(OC)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C14H21O3P/c1-16-18(15,17-2)14(11-7-4-8-12-14)13-9-5-3-6-10-13/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3
InChIKeyXQWXISTXPACLAQ-UHFFFAOYSA-N
MW268.29 g/mol
LogP4.33
Rot. Bonds4

About (1-dimethoxyphosphorylcyclohexyl)benzene

(1-dimethoxyphosphorylcyclohexyl)benzene (PubChem CID 174740839) has the molecular formula C14H21O3P and a molecular weight of 268.29 g/mol. Its IUPAC name is (1-dimethoxyphosphorylcyclohexyl)benzene.

Molecular Properties

Compound Name(1-dimethoxyphosphorylcyclohexyl)benzene
PubChem CID174740839
Molecular FormulaC14H21O3P
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name(1-dimethoxyphosphorylcyclohexyl)benzene
SMILESCOP(=O)(OC)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C14H21O3P/c1-16-18(15,17-2)14(11-7-4-8-12-14)13-9-5-3-6-10-13/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3
InChIKeyXQWXISTXPACLAQ-UHFFFAOYSA-N
XLogP4.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-dimethoxyphosphorylcyclohexyl)benzene?
The IUPAC name of (1-dimethoxyphosphorylcyclohexyl)benzene (CID 174740839) is (1-dimethoxyphosphorylcyclohexyl)benzene.
What is the SMILES notation for (1-dimethoxyphosphorylcyclohexyl)benzene?
The canonical SMILES for (1-dimethoxyphosphorylcyclohexyl)benzene is COP(=O)(OC)C1(c2ccccc2)CCCCC1.
What is the InChIKey of (1-dimethoxyphosphorylcyclohexyl)benzene?
The InChIKey is XQWXISTXPACLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21O3P/c1-16-18(15,17-2)14(11-7-4-8-12-14)13-9-5-3-6-10-13/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3.
What are the key properties of (1-dimethoxyphosphorylcyclohexyl)benzene?
(1-dimethoxyphosphorylcyclohexyl)benzene has a molecular weight of 268.29 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-dimethoxyphosphorylcyclohexyl)benzene is sourced from PubChem (CID 174740839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).