2-(4-methoxyphenyl)-1-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-2,3-dihydroindene-1,5-diol

C29H33NO4 — CID 19603561

IUPAC2-(4-methoxyphenyl)-1-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-2,3-dihydroindene-1,5-diol
SMILESCOc1ccc(C2Cc3cc(O)ccc3C2(O)Cc2ccc(OCCN3CCCC3)cc2)cc1
InChIInChI=1S/C29H33NO4/c1-33-25-11-6-22(7-12-25)28-19-23-18-24(31)8-13-27(23)29(28,32)20-21-4-9-26(10-5-21)34-17-16-30-14-2-3-15-30/h4-13,18,28,31-32H,2-3,14-17,19-20H2,1H3
InChIKeyDLBXIOXYINGNTO-UHFFFAOYSA-N
MW459.59 g/mol
LogP4.65
Rot. Bonds8

About 2-(4-methoxyphenyl)-1-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-2,3-dihydroindene-1,5-diol

2-(4-methoxyphenyl)-1-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-2,3-dihydroindene-1,5-diol (PubChem CID 19603561) has the molecular formula C29H33NO4 and a molecular weight of 459.59 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-2,3-dihydroindene-1,5-diol.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-2,3-dihydroindene-1,5-diol
PubChem CID19603561
Molecular FormulaC29H33NO4
Molecular Weight459.59 g/mol
Exact Mass459.24
IUPAC Name2-(4-methoxyphenyl)-1-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-2,3-dihydroindene-1,5-diol
SMILESCOc1ccc(C2Cc3cc(O)ccc3C2(O)Cc2ccc(OCCN3CCCC3)cc2)cc1
InChIInChI=1S/C29H33NO4/c1-33-25-11-6-22(7-12-25)28-19-23-18-24(31)8-13-27(23)29(28,32)20-21-4-9-26(10-5-21)34-17-16-30-14-2-3-15-30/h4-13,18,28,31-32H,2-3,14-17,19-20H2,1H3
InChIKeyDLBXIOXYINGNTO-UHFFFAOYSA-N
XLogP4.65
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-methoxyphenyl)-1-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-2,3-dihydroindene-1,5-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
2-(4-hydroxyphenyl)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,3-dihydro-1H-inden-5-ol
CID 54766104
(1R,3'S)-3'-[4-(2-piperidin-1-ylethoxy)phenyl]-1,1'-spirobi[2,3-dihydroindene]-5,5'-diol
CID 10434170
4-[(E)-1-[4-[2-(azepan-1-yl)ethoxy]phenyl]-3-(4-methoxyphenyl)-2-methylprop-1-enyl]phenol
CID 155813769
(6R)-6-[2-[ethyl-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 58023063
3-(4-hydroxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromen-6-ol
CID 142952766
4-[(E)-1-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-1-enyl]phenol
CID 171935752
6-[2-[3-[4-[2-(azetidin-1-yl)ethoxy]phenyl]propylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 66627754
N-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-5-methoxy-2-(6-methoxy-3,3-dimethyl-2,4-dihydro-1H-naphthalen-2-yl)aniline
CID 66627901
(5S,6R)-6-(4-hydroxyphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 22865212
5-[(E)-1-(4-methoxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-1-enyl]naphthalen-2-ol
CID 11784901
4-[4-(hydroxymethyl)-5-methyl-6-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]cyclohex-3-en-1-yl]phenol
CID 18436347

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-2,3-dihydroindene-1,5-diol?
The IUPAC name of 2-(4-methoxyphenyl)-1-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-2,3-dihydroindene-1,5-diol (CID 19603561) is 2-(4-methoxyphenyl)-1-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-2,3-dihydroindene-1,5-diol.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-2,3-dihydroindene-1,5-diol?
The canonical SMILES for 2-(4-methoxyphenyl)-1-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-2,3-dihydroindene-1,5-diol is COc1ccc(C2Cc3cc(O)ccc3C2(O)Cc2ccc(OCCN3CCCC3)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-2,3-dihydroindene-1,5-diol?
The InChIKey is DLBXIOXYINGNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33NO4/c1-33-25-11-6-22(7-12-25)28-19-23-18-24(31)8-13-27(23)29(28,32)20-21-4-9-26(10-5-21)34-17-16-30-14-2-3-15-30/h4-13,18,28,31-32H,2-3,14-17,19-20H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-1-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-2,3-dihydroindene-1,5-diol?
2-(4-methoxyphenyl)-1-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-2,3-dihydroindene-1,5-diol has a molecular weight of 459.59 g/mol, XLogP of 4.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-2,3-dihydroindene-1,5-diol is sourced from PubChem (CID 19603561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).