1-[cyclohexyl(methyl)phosphoryl]-2-methoxybenzene

C14H21O2P — CID 12892172

IUPAC1-[cyclohexyl(methyl)phosphoryl]-2-methoxybenzene
SMILESCOc1ccccc1P(C)(=O)C1CCCCC1
InChIInChI=1S/C14H21O2P/c1-16-13-10-6-7-11-14(13)17(2,15)12-8-4-3-5-9-12/h6-7,10-12H,3-5,8-9H2,1-2H3
InChIKeyVONXPIGBEOZIRF-UHFFFAOYSA-N
MW252.29 g/mol
LogP3.65
Rot. Bonds3

About 1-[cyclohexyl(methyl)phosphoryl]-2-methoxybenzene

1-[cyclohexyl(methyl)phosphoryl]-2-methoxybenzene (PubChem CID 12892172) has the molecular formula C14H21O2P and a molecular weight of 252.29 g/mol. Its IUPAC name is 1-[cyclohexyl(methyl)phosphoryl]-2-methoxybenzene.

Molecular Properties

Compound Name1-[cyclohexyl(methyl)phosphoryl]-2-methoxybenzene
PubChem CID12892172
Molecular FormulaC14H21O2P
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name1-[cyclohexyl(methyl)phosphoryl]-2-methoxybenzene
SMILESCOc1ccccc1P(C)(=O)C1CCCCC1
InChIInChI=1S/C14H21O2P/c1-16-13-10-6-7-11-14(13)17(2,15)12-8-4-3-5-9-12/h6-7,10-12H,3-5,8-9H2,1-2H3
InChIKeyVONXPIGBEOZIRF-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-dimethylphosphoryl-2-methoxybenzene
CID 90152243
2-(2-dicyclohexylphosphorylphenyl)-1-methoxy-3-methylbenzene
CID 158416799
copper;(2-methoxyphenyl)phosphonic acid
CID 68628754
[tert-butyl(cyclohexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 22183998
1-[bis(2-methoxyphenyl)phosphorylmethoxymethyl-(2-methoxyphenyl)phosphoryl]-2-methoxybenzene
CID 163210836
CID 164898393
CID 164898393
[cyclohexyl-(2,6-dimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 22183265
[cyclopentyl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 22183526
cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
1-[cyclohexyl-(2-methoxyphenyl)methyl]-2-methoxybenzene
CID 70442414
1-bromo-2-dicyclohexylphosphorylbenzene
CID 102164543
1-[amino(phenyl)phosphoryl]-2-methoxybenzene
CID 122224691

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(methyl)phosphoryl]-2-methoxybenzene?
The IUPAC name of 1-[cyclohexyl(methyl)phosphoryl]-2-methoxybenzene (CID 12892172) is 1-[cyclohexyl(methyl)phosphoryl]-2-methoxybenzene.
What is the SMILES notation for 1-[cyclohexyl(methyl)phosphoryl]-2-methoxybenzene?
The canonical SMILES for 1-[cyclohexyl(methyl)phosphoryl]-2-methoxybenzene is COc1ccccc1P(C)(=O)C1CCCCC1.
What is the InChIKey of 1-[cyclohexyl(methyl)phosphoryl]-2-methoxybenzene?
The InChIKey is VONXPIGBEOZIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21O2P/c1-16-13-10-6-7-11-14(13)17(2,15)12-8-4-3-5-9-12/h6-7,10-12H,3-5,8-9H2,1-2H3.
What are the key properties of 1-[cyclohexyl(methyl)phosphoryl]-2-methoxybenzene?
1-[cyclohexyl(methyl)phosphoryl]-2-methoxybenzene has a molecular weight of 252.29 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl(methyl)phosphoryl]-2-methoxybenzene is sourced from PubChem (CID 12892172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).