dicyclohexyl-(1,3-dimethoxy-2-phenylcyclohexa-2,4-dien-1-yl)phosphane;hydrochloride

C26H38ClO2P — CID 175706079

IUPACdicyclohexyl-(1,3-dimethoxy-2-phenylcyclohexa-2,4-dien-1-yl)phosphane;hydrochloride
SMILESCOC1=C(c2ccccc2)C(OC)(P(C2CCCCC2)C2CCCCC2)CC=C1.Cl
InChIInChI=1S/C26H37O2P.ClH/c1-27-24-19-12-20-26(28-2,25(24)21-13-6-3-7-14-21)29(22-15-8-4-9-16-22)23-17-10-5-11-18-23;/h3,6-7,12-14,19,22-23H,4-5,8-11,15-18,20H2,1-2H3;1H
InChIKeyKDBPRNFOGNGKHB-UHFFFAOYSA-N
MW449.02 g/mol
LogP7.92
Rot. Bonds6

About dicyclohexyl-(1,3-dimethoxy-2-phenylcyclohexa-2,4-dien-1-yl)phosphane;hydrochloride

dicyclohexyl-(1,3-dimethoxy-2-phenylcyclohexa-2,4-dien-1-yl)phosphane;hydrochloride (PubChem CID 175706079) has the molecular formula C26H38ClO2P and a molecular weight of 449.02 g/mol. Its IUPAC name is dicyclohexyl-(1,3-dimethoxy-2-phenylcyclohexa-2,4-dien-1-yl)phosphane;hydrochloride.

Molecular Properties

Compound Namedicyclohexyl-(1,3-dimethoxy-2-phenylcyclohexa-2,4-dien-1-yl)phosphane;hydrochloride
PubChem CID175706079
Molecular FormulaC26H38ClO2P
Molecular Weight449.02 g/mol
Exact Mass448.23
IUPAC Namedicyclohexyl-(1,3-dimethoxy-2-phenylcyclohexa-2,4-dien-1-yl)phosphane;hydrochloride
SMILESCOC1=C(c2ccccc2)C(OC)(P(C2CCCCC2)C2CCCCC2)CC=C1.Cl
InChIInChI=1S/C26H37O2P.ClH/c1-27-24-19-12-20-26(28-2,25(24)21-13-6-3-7-14-21)29(22-15-8-4-9-16-22)23-17-10-5-11-18-23;/h3,6-7,12-14,19,22-23H,4-5,8-11,15-18,20H2,1-2H3;1H
InChIKeyKDBPRNFOGNGKHB-UHFFFAOYSA-N
XLogP7.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.02
LogP ≤ 57.92
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

6-dicyclohexylphosphanyl-4,6-dimethoxy-5-phenylcyclohexa-2,4-diene-1-sulfonic acid;hydrate
CID 175212957
dicyclohexyl-(1,5-dimethoxy-6-phenylcyclohexa-2,4-dien-1-yl)phosphane
CID 66579920
cyclohexyl-bis(2-methoxyphenyl)phosphane
CID 101492497
(2-benzylidene-1,3-dibromocyclohexyl)-dicyclohexylphosphane;ruthenium
CID 158288010
dicyclohexyl-[2-(2-dicyclohexylphosphanyloxy-6-methoxy-3-phenylphenyl)-3-methoxy-6-phenylphenoxy]phosphane
CID 20606210
dicyclohexyl-[2-phenyl-1,3-di(propan-2-yloxy)cyclohexa-2,4-dien-1-yl]phosphane;palladium;2-phenylcyclohexa-2,4-dien-1-amine;chloride
CID 168916932
(2-benzylidene-1,3-diiodocyclohexyl)-dicyclohexylphosphane;ruthenium
CID 157365293
3,3-dimethyl-2-phenylcyclohexa-1,5-diene-1-carboxylic acid
CID 150890312
dicyclohexyl-[2-(2,5-diphenylpyrrol-1-yl)-6-methoxyphenyl]phosphane
CID 118474964
cyclononyl(diphenyl)phosphane
CID 70908257
acetic acid;dicyclohexyl(phenyl)phosphane
CID 172794555
4-cyclohexyl-5-phenylcyclohexa-1,5-diene-1,4-diamine
CID 175919182

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-(1,3-dimethoxy-2-phenylcyclohexa-2,4-dien-1-yl)phosphane;hydrochloride?
The IUPAC name of dicyclohexyl-(1,3-dimethoxy-2-phenylcyclohexa-2,4-dien-1-yl)phosphane;hydrochloride (CID 175706079) is dicyclohexyl-(1,3-dimethoxy-2-phenylcyclohexa-2,4-dien-1-yl)phosphane;hydrochloride.
What is the SMILES notation for dicyclohexyl-(1,3-dimethoxy-2-phenylcyclohexa-2,4-dien-1-yl)phosphane;hydrochloride?
The canonical SMILES for dicyclohexyl-(1,3-dimethoxy-2-phenylcyclohexa-2,4-dien-1-yl)phosphane;hydrochloride is COC1=C(c2ccccc2)C(OC)(P(C2CCCCC2)C2CCCCC2)CC=C1.Cl.
What is the InChIKey of dicyclohexyl-(1,3-dimethoxy-2-phenylcyclohexa-2,4-dien-1-yl)phosphane;hydrochloride?
The InChIKey is KDBPRNFOGNGKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37O2P.ClH/c1-27-24-19-12-20-26(28-2,25(24)21-13-6-3-7-14-21)29(22-15-8-4-9-16-22)23-17-10-5-11-18-23;/h3,6-7,12-14,19,22-23H,4-5,8-11,15-18,20H2,1-2H3;1H.
What are the key properties of dicyclohexyl-(1,3-dimethoxy-2-phenylcyclohexa-2,4-dien-1-yl)phosphane;hydrochloride?
dicyclohexyl-(1,3-dimethoxy-2-phenylcyclohexa-2,4-dien-1-yl)phosphane;hydrochloride has a molecular weight of 449.02 g/mol, XLogP of 7.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-(1,3-dimethoxy-2-phenylcyclohexa-2,4-dien-1-yl)phosphane;hydrochloride is sourced from PubChem (CID 175706079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).