7-iodo-5-methyl-4-(4-phenylmethoxy-3-propan-2-ylphenoxy)-2,3-dihydro-1H-indene

C26H27IO2 — CID 23031219

IUPAC7-iodo-5-methyl-4-(4-phenylmethoxy-3-propan-2-ylphenoxy)-2,3-dihydro-1H-indene
SMILESCc1cc(I)c2c(c1Oc1ccc(OCc3ccccc3)c(C(C)C)c1)CCC2
InChIInChI=1S/C26H27IO2/c1-17(2)23-15-20(12-13-25(23)28-16-19-8-5-4-6-9-19)29-26-18(3)14-24(27)21-10-7-11-22(21)26/h4-6,8-9,12-15,17H,7,10-11,16H2,1-3H3
InChIKeyGXMGQQCCBXCYEY-UHFFFAOYSA-N
MW498.40 g/mol
LogP7.58
Rot. Bonds6

About 7-iodo-5-methyl-4-(4-phenylmethoxy-3-propan-2-ylphenoxy)-2,3-dihydro-1H-indene

7-iodo-5-methyl-4-(4-phenylmethoxy-3-propan-2-ylphenoxy)-2,3-dihydro-1H-indene (PubChem CID 23031219) has the molecular formula C26H27IO2 and a molecular weight of 498.40 g/mol. Its IUPAC name is 7-iodo-5-methyl-4-(4-phenylmethoxy-3-propan-2-ylphenoxy)-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name7-iodo-5-methyl-4-(4-phenylmethoxy-3-propan-2-ylphenoxy)-2,3-dihydro-1H-indene
PubChem CID23031219
Molecular FormulaC26H27IO2
Molecular Weight498.40 g/mol
Exact Mass498.11
IUPAC Name7-iodo-5-methyl-4-(4-phenylmethoxy-3-propan-2-ylphenoxy)-2,3-dihydro-1H-indene
SMILESCc1cc(I)c2c(c1Oc1ccc(OCc3ccccc3)c(C(C)C)c1)CCC2
InChIInChI=1S/C26H27IO2/c1-17(2)23-15-20(12-13-25(23)28-16-19-8-5-4-6-9-19)29-26-18(3)14-24(27)21-10-7-11-22(21)26/h4-6,8-9,12-15,17H,7,10-11,16H2,1-3H3
InChIKeyGXMGQQCCBXCYEY-UHFFFAOYSA-N
XLogP7.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.40
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-iodo-5-methyl-4-(4-phenylmethoxy-3-propan-2-ylphenoxy)-2,3-dihydro-1H-indene 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

1,4-Dimethoxyanthracene
CID 83107
9,10-Diethoxyanthracene
CID 111623
4-Methoxy-4-[2-methyl-3-(naphthalen-2-ylmethoxy)-phenyl]-tetrahydro-pyran
CID 14985900
(8S,9S,13S,14S)-3-ethenyl-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
CID 46882436
6-Methoxy-2,2-dimethyl-2H-naphtho(1,2-b)pyran
CID 174859
Benzene, 1-((2-(4-(1-methylethyl)phenyl)-2-methylpropoxy)methyl)-3-phenoxy-
CID 595030
2-Ethyl-9,10-dimethoxyanthracene
CID 736188
2-Phenethyl-6-(3-phenoxy-propyl)-4-propyl-2,3-dihydro-benzofuran-5-ol
CID 15161058
(2S,4S)-4-(4-methoxyphenyl)-5,7-dimethyl-2-phenyl-3,4-dihydro-2H-chromene
CID 16746399
1-(2-(3-Methoxybenzyloxy)phenethyl)-3-methoxybenzene
CID 11973922
1,4-Dimethoxy-2-(3-methylbut-2-enyl)naphthalene
CID 23427088
Benzene, 1,2-dimethyl-4-(1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl)-
CID 3027252

Frequently Asked Questions

What is the IUPAC name of 7-iodo-5-methyl-4-(4-phenylmethoxy-3-propan-2-ylphenoxy)-2,3-dihydro-1H-indene?
The IUPAC name of 7-iodo-5-methyl-4-(4-phenylmethoxy-3-propan-2-ylphenoxy)-2,3-dihydro-1H-indene (CID 23031219) is 7-iodo-5-methyl-4-(4-phenylmethoxy-3-propan-2-ylphenoxy)-2,3-dihydro-1H-indene.
What is the SMILES notation for 7-iodo-5-methyl-4-(4-phenylmethoxy-3-propan-2-ylphenoxy)-2,3-dihydro-1H-indene?
The canonical SMILES for 7-iodo-5-methyl-4-(4-phenylmethoxy-3-propan-2-ylphenoxy)-2,3-dihydro-1H-indene is Cc1cc(I)c2c(c1Oc1ccc(OCc3ccccc3)c(C(C)C)c1)CCC2.
What is the InChIKey of 7-iodo-5-methyl-4-(4-phenylmethoxy-3-propan-2-ylphenoxy)-2,3-dihydro-1H-indene?
The InChIKey is GXMGQQCCBXCYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27IO2/c1-17(2)23-15-20(12-13-25(23)28-16-19-8-5-4-6-9-19)29-26-18(3)14-24(27)21-10-7-11-22(21)26/h4-6,8-9,12-15,17H,7,10-11,16H2,1-3H3.
What are the key properties of 7-iodo-5-methyl-4-(4-phenylmethoxy-3-propan-2-ylphenoxy)-2,3-dihydro-1H-indene?
7-iodo-5-methyl-4-(4-phenylmethoxy-3-propan-2-ylphenoxy)-2,3-dihydro-1H-indene has a molecular weight of 498.40 g/mol, XLogP of 7.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-5-methyl-4-(4-phenylmethoxy-3-propan-2-ylphenoxy)-2,3-dihydro-1H-indene is sourced from PubChem (CID 23031219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).