[2-(3-phenylpropyl)phenyl]-(3,4,5-trimethoxy-2-pyridin-4-ylphenyl)methanone

C30H29NO4 — CID 57087084

IUPAC[2-(3-phenylpropyl)phenyl]-(3,4,5-trimethoxy-2-pyridin-4-ylphenyl)methanone
SMILESCOc1cc(C(=O)c2ccccc2CCCc2ccccc2)c(-c2ccncc2)c(OC)c1OC
InChIInChI=1S/C30H29NO4/c1-33-26-20-25(27(23-16-18-31-19-17-23)30(35-3)29(26)34-2)28(32)24-15-8-7-13-22(24)14-9-12-21-10-5-4-6-11-21/h4-8,10-11,13,15-20H,9,12,14H2,1-3H3
InChIKeyISEDZXRLSPLZFA-UHFFFAOYSA-N
MW467.57 g/mol
LogP6.18
Rot. Bonds10

About [2-(3-phenylpropyl)phenyl]-(3,4,5-trimethoxy-2-pyridin-4-ylphenyl)methanone

[2-(3-phenylpropyl)phenyl]-(3,4,5-trimethoxy-2-pyridin-4-ylphenyl)methanone (PubChem CID 57087084) has the molecular formula C30H29NO4 and a molecular weight of 467.57 g/mol. Its IUPAC name is [2-(3-phenylpropyl)phenyl]-(3,4,5-trimethoxy-2-pyridin-4-ylphenyl)methanone.

Molecular Properties

Compound Name[2-(3-phenylpropyl)phenyl]-(3,4,5-trimethoxy-2-pyridin-4-ylphenyl)methanone
PubChem CID57087084
Molecular FormulaC30H29NO4
Molecular Weight467.57 g/mol
Exact Mass467.21
IUPAC Name[2-(3-phenylpropyl)phenyl]-(3,4,5-trimethoxy-2-pyridin-4-ylphenyl)methanone
SMILESCOc1cc(C(=O)c2ccccc2CCCc2ccccc2)c(-c2ccncc2)c(OC)c1OC
InChIInChI=1S/C30H29NO4/c1-33-26-20-25(27(23-16-18-31-19-17-23)30(35-3)29(26)34-2)28(32)24-15-8-7-13-22(24)14-9-12-21-10-5-4-6-11-21/h4-8,10-11,13,15-20H,9,12,14H2,1-3H3
InChIKeyISEDZXRLSPLZFA-UHFFFAOYSA-N
XLogP6.18
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylphenyl)-(3,4,5-trimethoxy-2-phenylphenyl)methanone
CID 71574701
1-[2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]ethanone
CID 135057699
bis(3-methoxy-2-phenylphenyl)methanone
CID 141103935
2-methoxy-6-(5-phenylpentyl)benzoic acid
CID 46735473
1,2,3,4-tetramethoxy-5-(2-phenylethyl)benzene
CID 174438503
methyl 2-hydroxy-3-(3-phenylpropyl)benzoate
CID 16754223
1-methoxy-2,3-bis(3-phenylpropyl)benzene
CID 57054570
N-[3-(2,6-dimethoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
CID 57417789
2,3-dimethoxy-5-(5-phenylpentyl)aniline
CID 71371223
4-(2,6-dimethoxy-4-pentylphenyl)pyridine
CID 178159447
(2S)-2-[methyl-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]amino]-3-phenyl-N-(4-phenylbutyl)-N-(pyridin-4-ylmethyl)propanamide
CID 54013732
methyl 4-(3-phenylpropoxy)pyridine-3-carboxylate
CID 132587685

Frequently Asked Questions

What is the IUPAC name of [2-(3-phenylpropyl)phenyl]-(3,4,5-trimethoxy-2-pyridin-4-ylphenyl)methanone?
The IUPAC name of [2-(3-phenylpropyl)phenyl]-(3,4,5-trimethoxy-2-pyridin-4-ylphenyl)methanone (CID 57087084) is [2-(3-phenylpropyl)phenyl]-(3,4,5-trimethoxy-2-pyridin-4-ylphenyl)methanone.
What is the SMILES notation for [2-(3-phenylpropyl)phenyl]-(3,4,5-trimethoxy-2-pyridin-4-ylphenyl)methanone?
The canonical SMILES for [2-(3-phenylpropyl)phenyl]-(3,4,5-trimethoxy-2-pyridin-4-ylphenyl)methanone is COc1cc(C(=O)c2ccccc2CCCc2ccccc2)c(-c2ccncc2)c(OC)c1OC.
What is the InChIKey of [2-(3-phenylpropyl)phenyl]-(3,4,5-trimethoxy-2-pyridin-4-ylphenyl)methanone?
The InChIKey is ISEDZXRLSPLZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO4/c1-33-26-20-25(27(23-16-18-31-19-17-23)30(35-3)29(26)34-2)28(32)24-15-8-7-13-22(24)14-9-12-21-10-5-4-6-11-21/h4-8,10-11,13,15-20H,9,12,14H2,1-3H3.
What are the key properties of [2-(3-phenylpropyl)phenyl]-(3,4,5-trimethoxy-2-pyridin-4-ylphenyl)methanone?
[2-(3-phenylpropyl)phenyl]-(3,4,5-trimethoxy-2-pyridin-4-ylphenyl)methanone has a molecular weight of 467.57 g/mol, XLogP of 6.18, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-phenylpropyl)phenyl]-(3,4,5-trimethoxy-2-pyridin-4-ylphenyl)methanone is sourced from PubChem (CID 57087084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).