[3-[4-[3-(4-methoxyphenyl)propoxy]phenyl]cyclopentyl]methyl dihydrogen phosphate

C22H29O6P — CID 143710411

IUPAC[3-[4-[3-(4-methoxyphenyl)propoxy]phenyl]cyclopentyl]methyl dihydrogen phosphate
SMILESCOc1ccc(CCCOc2ccc(C3CCC(COP(=O)(O)O)C3)cc2)cc1
InChIInChI=1S/C22H29O6P/c1-26-21-10-5-17(6-11-21)3-2-14-27-22-12-8-19(9-13-22)20-7-4-18(15-20)16-28-29(23,24)25/h5-6,8-13,18,20H,2-4,7,14-16H2,1H3,(H2,23,24,25)
InChIKeyFOZNZBPGAVJNFB-UHFFFAOYSA-N
MW420.44 g/mol
LogP4.70
Rot. Bonds10

About [3-[4-[3-(4-methoxyphenyl)propoxy]phenyl]cyclopentyl]methyl dihydrogen phosphate

[3-[4-[3-(4-methoxyphenyl)propoxy]phenyl]cyclopentyl]methyl dihydrogen phosphate (PubChem CID 143710411) has the molecular formula C22H29O6P and a molecular weight of 420.44 g/mol. Its IUPAC name is [3-[4-[3-(4-methoxyphenyl)propoxy]phenyl]cyclopentyl]methyl dihydrogen phosphate.

Molecular Properties

Compound Name[3-[4-[3-(4-methoxyphenyl)propoxy]phenyl]cyclopentyl]methyl dihydrogen phosphate
PubChem CID143710411
Molecular FormulaC22H29O6P
Molecular Weight420.44 g/mol
Exact Mass420.17
IUPAC Name[3-[4-[3-(4-methoxyphenyl)propoxy]phenyl]cyclopentyl]methyl dihydrogen phosphate
SMILESCOc1ccc(CCCOc2ccc(C3CCC(COP(=O)(O)O)C3)cc2)cc1
InChIInChI=1S/C22H29O6P/c1-26-21-10-5-17(6-11-21)3-2-14-27-22-12-8-19(9-13-22)20-7-4-18(15-20)16-28-29(23,24)25/h5-6,8-13,18,20H,2-4,7,14-16H2,1H3,(H2,23,24,25)
InChIKeyFOZNZBPGAVJNFB-UHFFFAOYSA-N
XLogP4.70
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(1S)-3-[4-(3-phenylpropoxy)phenyl]cyclopentyl]methanol
CID 143710483
[(1S,3R)-3-(4-methoxyphenyl)cyclopentyl]methyl carbamate
CID 143710570
[(2R)-2-amino-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]-2-methylbutyl] dihydrogen phosphate
CID 59655591
N-benzyl-1-[3-(4-methoxyphenyl)cyclopentyl]methanamine;hydrochloride
CID 18784188
[3-[4-(2-phenoxyethoxy)phenyl]cyclopentyl]methanol
CID 143710409
2-[4-(4-methoxyphenyl)cyclohexyl]ethanol
CID 121318753
1-methoxy-4-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene
CID 118595910
3-[[(1S)-3-[4-(2-phenoxyethoxy)phenyl]cyclopentyl]methoxy]-1,2,3λ5-dioxaphosphirane 3-oxide
CID 143710547
4-[4-(2-methoxyethoxy)phenyl]cyclohexan-1-amine
CID 19693936
1-(3-ethylcyclobutyl)-4-methoxybenzene
CID 166481315
1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)benzene
CID 21043309
1-[(1R,2R,4R)-4-(4-butoxyphenyl)-2-methylcyclohexyl]ethanone
CID 7322868

Frequently Asked Questions

What is the IUPAC name of [3-[4-[3-(4-methoxyphenyl)propoxy]phenyl]cyclopentyl]methyl dihydrogen phosphate?
The IUPAC name of [3-[4-[3-(4-methoxyphenyl)propoxy]phenyl]cyclopentyl]methyl dihydrogen phosphate (CID 143710411) is [3-[4-[3-(4-methoxyphenyl)propoxy]phenyl]cyclopentyl]methyl dihydrogen phosphate.
What is the SMILES notation for [3-[4-[3-(4-methoxyphenyl)propoxy]phenyl]cyclopentyl]methyl dihydrogen phosphate?
The canonical SMILES for [3-[4-[3-(4-methoxyphenyl)propoxy]phenyl]cyclopentyl]methyl dihydrogen phosphate is COc1ccc(CCCOc2ccc(C3CCC(COP(=O)(O)O)C3)cc2)cc1.
What is the InChIKey of [3-[4-[3-(4-methoxyphenyl)propoxy]phenyl]cyclopentyl]methyl dihydrogen phosphate?
The InChIKey is FOZNZBPGAVJNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29O6P/c1-26-21-10-5-17(6-11-21)3-2-14-27-22-12-8-19(9-13-22)20-7-4-18(15-20)16-28-29(23,24)25/h5-6,8-13,18,20H,2-4,7,14-16H2,1H3,(H2,23,24,25).
What are the key properties of [3-[4-[3-(4-methoxyphenyl)propoxy]phenyl]cyclopentyl]methyl dihydrogen phosphate?
[3-[4-[3-(4-methoxyphenyl)propoxy]phenyl]cyclopentyl]methyl dihydrogen phosphate has a molecular weight of 420.44 g/mol, XLogP of 4.70, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[3-(4-methoxyphenyl)propoxy]phenyl]cyclopentyl]methyl dihydrogen phosphate is sourced from PubChem (CID 143710411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).