5-(3-cyclopentyloxy-4-phenylmethoxyphenyl)pent-1-en-3-one

C23H26O3 — CID 154984487

IUPAC5-(3-cyclopentyloxy-4-phenylmethoxyphenyl)pent-1-en-3-one
SMILESC=CC(=O)CCc1ccc(OCc2ccccc2)c(OC2CCCC2)c1
InChIInChI=1S/C23H26O3/c1-2-20(24)14-12-18-13-15-22(25-17-19-8-4-3-5-9-19)23(16-18)26-21-10-6-7-11-21/h2-5,8-9,13,15-16,21H,1,6-7,10-12,14,17H2
InChIKeyNTDYGVMFQXIWBG-UHFFFAOYSA-N
MW350.46 g/mol
LogP5.27
Rot. Bonds9

About 5-(3-cyclopentyloxy-4-phenylmethoxyphenyl)pent-1-en-3-one

5-(3-cyclopentyloxy-4-phenylmethoxyphenyl)pent-1-en-3-one (PubChem CID 154984487) has the molecular formula C23H26O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 5-(3-cyclopentyloxy-4-phenylmethoxyphenyl)pent-1-en-3-one.

Molecular Properties

Compound Name5-(3-cyclopentyloxy-4-phenylmethoxyphenyl)pent-1-en-3-one
PubChem CID154984487
Molecular FormulaC23H26O3
Molecular Weight350.46 g/mol
Exact Mass350.19
IUPAC Name5-(3-cyclopentyloxy-4-phenylmethoxyphenyl)pent-1-en-3-one
SMILESC=CC(=O)CCc1ccc(OCc2ccccc2)c(OC2CCCC2)c1
InChIInChI=1S/C23H26O3/c1-2-20(24)14-12-18-13-15-22(25-17-19-8-4-3-5-9-19)23(16-18)26-21-10-6-7-11-21/h2-5,8-9,13,15-16,21H,1,6-7,10-12,14,17H2
InChIKeyNTDYGVMFQXIWBG-UHFFFAOYSA-N
XLogP5.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(3-chloro-4-phenylmethoxyphenyl)-1-cyclopentylpropan-1-one
CID 58762761
3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid
CID 2752415
4-cyclohexyloxy-3-phenylmethoxyaniline
CID 164888754
1-[3,4-bis(phenylmethoxy)phenyl]-6-hydroxyhexan-3-one
CID 157495437
3-(3-methoxy-4-phenylmethoxyphenyl)propanamide
CID 18442581
2-[3-(4-cyclobutyloxy-3-methoxyphenyl)propanoylamino]benzoic acid
CID 134470018
1-diazo-4-(4-methoxy-3-phenylmethoxyphenyl)butan-2-one
CID 71376113
(5S)-5-[(4-methoxyphenyl)methoxy]-7-(3-methoxy-4-phenylmethoxyphenyl)hept-1-en-3-one
CID 56958789
5-[[3,4-bis(phenylmethoxy)phenyl]methyl]-2-hydroxy-1,3-diazinane-4,6-dione
CID 90909409
4-(3-methoxy-4-phenylmethoxyphenyl)butanoic acid
CID 117484134
methyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]benzoate
CID 23222832
[3-(3-methoxy-4-phenylmethoxybenzoyl)oxycyclohexyl] 3-methoxy-4-phenylmethoxybenzoate
CID 58512760

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopentyloxy-4-phenylmethoxyphenyl)pent-1-en-3-one?
The IUPAC name of 5-(3-cyclopentyloxy-4-phenylmethoxyphenyl)pent-1-en-3-one (CID 154984487) is 5-(3-cyclopentyloxy-4-phenylmethoxyphenyl)pent-1-en-3-one.
What is the SMILES notation for 5-(3-cyclopentyloxy-4-phenylmethoxyphenyl)pent-1-en-3-one?
The canonical SMILES for 5-(3-cyclopentyloxy-4-phenylmethoxyphenyl)pent-1-en-3-one is C=CC(=O)CCc1ccc(OCc2ccccc2)c(OC2CCCC2)c1.
What is the InChIKey of 5-(3-cyclopentyloxy-4-phenylmethoxyphenyl)pent-1-en-3-one?
The InChIKey is NTDYGVMFQXIWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O3/c1-2-20(24)14-12-18-13-15-22(25-17-19-8-4-3-5-9-19)23(16-18)26-21-10-6-7-11-21/h2-5,8-9,13,15-16,21H,1,6-7,10-12,14,17H2.
What are the key properties of 5-(3-cyclopentyloxy-4-phenylmethoxyphenyl)pent-1-en-3-one?
5-(3-cyclopentyloxy-4-phenylmethoxyphenyl)pent-1-en-3-one has a molecular weight of 350.46 g/mol, XLogP of 5.27, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopentyloxy-4-phenylmethoxyphenyl)pent-1-en-3-one is sourced from PubChem (CID 154984487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).