cycloheptyloxy(phenylmethoxy)phosphane

C14H21O2P — CID 167297708

IUPACcycloheptyloxy(phenylmethoxy)phosphane
SMILESc1ccc(COPOC2CCCCCC2)cc1
InChIInChI=1S/C14H21O2P/c1-2-7-11-14(10-6-1)16-17-15-12-13-8-4-3-5-9-13/h3-5,8-9,14,17H,1-2,6-7,10-12H2
InChIKeyMAHBAFUPUNVBOZ-UHFFFAOYSA-N
MW252.29 g/mol
LogP4.45
Rot. Bonds5

About cycloheptyloxy(phenylmethoxy)phosphane

cycloheptyloxy(phenylmethoxy)phosphane (PubChem CID 167297708) has the molecular formula C14H21O2P and a molecular weight of 252.29 g/mol. Its IUPAC name is cycloheptyloxy(phenylmethoxy)phosphane.

Molecular Properties

Compound Namecycloheptyloxy(phenylmethoxy)phosphane
PubChem CID167297708
Molecular FormulaC14H21O2P
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Namecycloheptyloxy(phenylmethoxy)phosphane
SMILESc1ccc(COPOC2CCCCCC2)cc1
InChIInChI=1S/C14H21O2P/c1-2-7-11-14(10-6-1)16-17-15-12-13-8-4-3-5-9-13/h3-5,8-9,14,17H,1-2,6-7,10-12H2
InChIKeyMAHBAFUPUNVBOZ-UHFFFAOYSA-N
XLogP4.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cycloheptyloxy(phenylmethoxy)phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;cyclopentyloxymethylbenzene
CID 69411306
tribenzyl cyclohexyl silicate
CID 140793661
1-(2-cyclopentyloxyethoxy)-4-phenylmethoxybenzene
CID 13187522
cyclohexyl benzylsulfanylformate
CID 14740472
cyclohexyl(phenylmethoxy)methanol
CID 54334195
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
[4-(cycloheptyloxymethyl)phenyl]methanamine
CID 61069356
1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diamine
CID 3839523
N-phenylmethoxyphosphanylpropan-2-amine
CID 143461727
N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine
CID 4723001
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
4-cyclohexyloxy-3-phenylmethoxyaniline
CID 164888754

Frequently Asked Questions

What is the IUPAC name of cycloheptyloxy(phenylmethoxy)phosphane?
The IUPAC name of cycloheptyloxy(phenylmethoxy)phosphane (CID 167297708) is cycloheptyloxy(phenylmethoxy)phosphane.
What is the SMILES notation for cycloheptyloxy(phenylmethoxy)phosphane?
The canonical SMILES for cycloheptyloxy(phenylmethoxy)phosphane is c1ccc(COPOC2CCCCCC2)cc1.
What is the InChIKey of cycloheptyloxy(phenylmethoxy)phosphane?
The InChIKey is MAHBAFUPUNVBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21O2P/c1-2-7-11-14(10-6-1)16-17-15-12-13-8-4-3-5-9-13/h3-5,8-9,14,17H,1-2,6-7,10-12H2.
What are the key properties of cycloheptyloxy(phenylmethoxy)phosphane?
cycloheptyloxy(phenylmethoxy)phosphane has a molecular weight of 252.29 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyloxy(phenylmethoxy)phosphane is sourced from PubChem (CID 167297708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).