[4-[1-(dimethylamino)ethoxy]phenyl]-(4-phenylmethoxyphenyl)methanone

C24H25NO3 — CID 18988707

IUPAC[4-[1-(dimethylamino)ethoxy]phenyl]-(4-phenylmethoxyphenyl)methanone
SMILESCC(Oc1ccc(C(=O)c2ccc(OCc3ccccc3)cc2)cc1)N(C)C
InChIInChI=1S/C24H25NO3/c1-18(25(2)3)28-23-15-11-21(12-16-23)24(26)20-9-13-22(14-10-20)27-17-19-7-5-4-6-8-19/h4-16,18H,17H2,1-3H3
InChIKeyQRFYOCBKAXKNTB-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.78
Rot. Bonds8

About [4-[1-(dimethylamino)ethoxy]phenyl]-(4-phenylmethoxyphenyl)methanone

[4-[1-(dimethylamino)ethoxy]phenyl]-(4-phenylmethoxyphenyl)methanone (PubChem CID 18988707) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is [4-[1-(dimethylamino)ethoxy]phenyl]-(4-phenylmethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[1-(dimethylamino)ethoxy]phenyl]-(4-phenylmethoxyphenyl)methanone
PubChem CID18988707
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Name[4-[1-(dimethylamino)ethoxy]phenyl]-(4-phenylmethoxyphenyl)methanone
SMILESCC(Oc1ccc(C(=O)c2ccc(OCc3ccccc3)cc2)cc1)N(C)C
InChIInChI=1S/C24H25NO3/c1-18(25(2)3)28-23-15-11-21(12-16-23)24(26)20-9-13-22(14-10-20)27-17-19-7-5-4-6-8-19/h4-16,18H,17H2,1-3H3
InChIKeyQRFYOCBKAXKNTB-UHFFFAOYSA-N
XLogP4.78
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
(2R)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490297
(2S)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490295
methyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 11681743
(4-methylphenyl)-[4-(4-phenylmethoxyphenoxy)phenyl]methanone
CID 58133171
[4-(phenoxymethyl)phenyl]-phenylmethanone
CID 1262878
ethyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 58095622
N,N-diethyl-4-phenylmethoxybenzamide
CID 4958372
4-phenylmethoxybenzoic acid
CID 68896574
[1-(dimethylamino)-1-oxopropan-2-yl] 4-phenylmethoxybenzoate
CID 55392511
methyl 2-(4-phenylmethoxyphenoxy)propanoate
CID 13093988

Frequently Asked Questions

What is the IUPAC name of [4-[1-(dimethylamino)ethoxy]phenyl]-(4-phenylmethoxyphenyl)methanone?
The IUPAC name of [4-[1-(dimethylamino)ethoxy]phenyl]-(4-phenylmethoxyphenyl)methanone (CID 18988707) is [4-[1-(dimethylamino)ethoxy]phenyl]-(4-phenylmethoxyphenyl)methanone.
What is the SMILES notation for [4-[1-(dimethylamino)ethoxy]phenyl]-(4-phenylmethoxyphenyl)methanone?
The canonical SMILES for [4-[1-(dimethylamino)ethoxy]phenyl]-(4-phenylmethoxyphenyl)methanone is CC(Oc1ccc(C(=O)c2ccc(OCc3ccccc3)cc2)cc1)N(C)C.
What is the InChIKey of [4-[1-(dimethylamino)ethoxy]phenyl]-(4-phenylmethoxyphenyl)methanone?
The InChIKey is QRFYOCBKAXKNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c1-18(25(2)3)28-23-15-11-21(12-16-23)24(26)20-9-13-22(14-10-20)27-17-19-7-5-4-6-8-19/h4-16,18H,17H2,1-3H3.
What are the key properties of [4-[1-(dimethylamino)ethoxy]phenyl]-(4-phenylmethoxyphenyl)methanone?
[4-[1-(dimethylamino)ethoxy]phenyl]-(4-phenylmethoxyphenyl)methanone has a molecular weight of 375.47 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(dimethylamino)ethoxy]phenyl]-(4-phenylmethoxyphenyl)methanone is sourced from PubChem (CID 18988707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).