8-[2-[4-(4-methoxyphenyl)butylamino]ethoxy]-3,4-dihydro-2H-chromen-6-ol

C22H29NO4 — CID 10499477

IUPAC8-[2-[4-(4-methoxyphenyl)butylamino]ethoxy]-3,4-dihydro-2H-chromen-6-ol
SMILESCOc1ccc(CCCCNCCOc2cc(O)cc3c2OCCC3)cc1
InChIInChI=1S/C22H29NO4/c1-25-20-9-7-17(8-10-20)5-2-3-11-23-12-14-26-21-16-19(24)15-18-6-4-13-27-22(18)21/h7-10,15-16,23-24H,2-6,11-14H2,1H3
InChIKeyZGICPBLSOPGEDI-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.72
Rot. Bonds10

About 8-[2-[4-(4-methoxyphenyl)butylamino]ethoxy]-3,4-dihydro-2H-chromen-6-ol

8-[2-[4-(4-methoxyphenyl)butylamino]ethoxy]-3,4-dihydro-2H-chromen-6-ol (PubChem CID 10499477) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is 8-[2-[4-(4-methoxyphenyl)butylamino]ethoxy]-3,4-dihydro-2H-chromen-6-ol.

Molecular Properties

Compound Name8-[2-[4-(4-methoxyphenyl)butylamino]ethoxy]-3,4-dihydro-2H-chromen-6-ol
PubChem CID10499477
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC Name8-[2-[4-(4-methoxyphenyl)butylamino]ethoxy]-3,4-dihydro-2H-chromen-6-ol
SMILESCOc1ccc(CCCCNCCOc2cc(O)cc3c2OCCC3)cc1
InChIInChI=1S/C22H29NO4/c1-25-20-9-7-17(8-10-20)5-2-3-11-23-12-14-26-21-16-19(24)15-18-6-4-13-27-22(18)21/h7-10,15-16,23-24H,2-6,11-14H2,1H3
InChIKeyZGICPBLSOPGEDI-UHFFFAOYSA-N
XLogP3.72
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ro 363
CID 156297
(R)-2-(Benzylamino-methyl)-chroman-7-ol
CID 10378389
[2-(Chroman-8-yloxy)-ethyl]-[4-(4-methoxy-phenyl)-butyl]-amine
CID 10522191
2-[(cyclohexylmethylamino)methyl]-3,4-dihydro-2H-chromen-7-ol;oxalic acid
CID 21479414
7-Hydroxy-2',4',5'-trimethoxyisoflavan
CID 14394138
2-(2,6-dimethoxyphenoxy)-N-[[(2R)-3-phenyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]ethanamine
CID 9931962
[2-(5-Fluoro-chroman-8-yloxy)-ethyl]-[4-(4-methoxy-phenyl)-butyl]-amine
CID 9976625
[2-(2,6-Dimethoxy-phenoxy)-ethyl]-((2S,3S)-3-p-tolyl-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-amine
CID 10599007
(S)-3-(Benzylamino-methyl)-2,3-dihydro-benzo[1,4]dioxin-6-ol; oxalic acid
CID 10612157
[2-(6-Fluoro-2H-chromen-8-yloxy)-ethyl]-[4-(4-methoxy-phenyl)-butyl]-amine
CID 10737977
[2-(6-Fluoro-2-methyl-chroman-8-yloxy)-ethyl]-[2-(4-methoxy-phenyl)-ethyl]-amine
CID 10760924
[2-(6-Fluoro-2-methyl-chroman-8-yloxy)-ethyl]-[4-(4-methoxy-phenyl)-butyl]-amine
CID 10762810

Frequently Asked Questions

What is the IUPAC name of 8-[2-[4-(4-methoxyphenyl)butylamino]ethoxy]-3,4-dihydro-2H-chromen-6-ol?
The IUPAC name of 8-[2-[4-(4-methoxyphenyl)butylamino]ethoxy]-3,4-dihydro-2H-chromen-6-ol (CID 10499477) is 8-[2-[4-(4-methoxyphenyl)butylamino]ethoxy]-3,4-dihydro-2H-chromen-6-ol.
What is the SMILES notation for 8-[2-[4-(4-methoxyphenyl)butylamino]ethoxy]-3,4-dihydro-2H-chromen-6-ol?
The canonical SMILES for 8-[2-[4-(4-methoxyphenyl)butylamino]ethoxy]-3,4-dihydro-2H-chromen-6-ol is COc1ccc(CCCCNCCOc2cc(O)cc3c2OCCC3)cc1.
What is the InChIKey of 8-[2-[4-(4-methoxyphenyl)butylamino]ethoxy]-3,4-dihydro-2H-chromen-6-ol?
The InChIKey is ZGICPBLSOPGEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4/c1-25-20-9-7-17(8-10-20)5-2-3-11-23-12-14-26-21-16-19(24)15-18-6-4-13-27-22(18)21/h7-10,15-16,23-24H,2-6,11-14H2,1H3.
What are the key properties of 8-[2-[4-(4-methoxyphenyl)butylamino]ethoxy]-3,4-dihydro-2H-chromen-6-ol?
8-[2-[4-(4-methoxyphenyl)butylamino]ethoxy]-3,4-dihydro-2H-chromen-6-ol has a molecular weight of 371.48 g/mol, XLogP of 3.72, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[4-(4-methoxyphenyl)butylamino]ethoxy]-3,4-dihydro-2H-chromen-6-ol is sourced from PubChem (CID 10499477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).