1-dicyclohexyloxyphosphoryl-2-methylbenzene

C19H29O3P — CID 87590965

IUPAC1-dicyclohexyloxyphosphoryl-2-methylbenzene
SMILESCc1ccccc1P(=O)(OC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C19H29O3P/c1-16-10-8-9-15-19(16)23(20,21-17-11-4-2-5-12-17)22-18-13-6-3-7-14-18/h8-10,15,17-18H,2-7,11-14H2,1H3
InChIKeyAPQFNLYQWXWXQY-UHFFFAOYSA-N
MW336.41 g/mol
LogP5.51
Rot. Bonds5

About 1-dicyclohexyloxyphosphoryl-2-methylbenzene

1-dicyclohexyloxyphosphoryl-2-methylbenzene (PubChem CID 87590965) has the molecular formula C19H29O3P and a molecular weight of 336.41 g/mol. Its IUPAC name is 1-dicyclohexyloxyphosphoryl-2-methylbenzene.

Molecular Properties

Compound Name1-dicyclohexyloxyphosphoryl-2-methylbenzene
PubChem CID87590965
Molecular FormulaC19H29O3P
Molecular Weight336.41 g/mol
Exact Mass336.19
IUPAC Name1-dicyclohexyloxyphosphoryl-2-methylbenzene
SMILESCc1ccccc1P(=O)(OC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C19H29O3P/c1-16-10-8-9-15-19(16)23(20,21-17-11-4-2-5-12-17)22-18-13-6-3-7-14-18/h8-10,15,17-18H,2-7,11-14H2,1H3
InChIKeyAPQFNLYQWXWXQY-UHFFFAOYSA-N
XLogP5.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.41
LogP ≤ 55.51
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-dicyclohexyloxyphosphoryl-2-methylbenzene?
The IUPAC name of 1-dicyclohexyloxyphosphoryl-2-methylbenzene (CID 87590965) is 1-dicyclohexyloxyphosphoryl-2-methylbenzene.
What is the SMILES notation for 1-dicyclohexyloxyphosphoryl-2-methylbenzene?
The canonical SMILES for 1-dicyclohexyloxyphosphoryl-2-methylbenzene is Cc1ccccc1P(=O)(OC1CCCCC1)OC1CCCCC1.
What is the InChIKey of 1-dicyclohexyloxyphosphoryl-2-methylbenzene?
The InChIKey is APQFNLYQWXWXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29O3P/c1-16-10-8-9-15-19(16)23(20,21-17-11-4-2-5-12-17)22-18-13-6-3-7-14-18/h8-10,15,17-18H,2-7,11-14H2,1H3.
What are the key properties of 1-dicyclohexyloxyphosphoryl-2-methylbenzene?
1-dicyclohexyloxyphosphoryl-2-methylbenzene has a molecular weight of 336.41 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dicyclohexyloxyphosphoryl-2-methylbenzene is sourced from PubChem (CID 87590965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).