2-[(3,5-dimethyl-1H-indol-2-yl)-phenylmethyl]-4-methyl-4-phenylcyclobuten-1-ol

C28H27NO — CID 141200867

IUPAC2-[(3,5-dimethyl-1H-indol-2-yl)-phenylmethyl]-4-methyl-4-phenylcyclobuten-1-ol
SMILESCc1ccc2[nH]c(C(C3=C(O)C(C)(c4ccccc4)C3)c3ccccc3)c(C)c2c1
InChIInChI=1S/C28H27NO/c1-18-14-15-24-22(16-18)19(2)26(29-24)25(20-10-6-4-7-11-20)23-17-28(3,27(23)30)21-12-8-5-9-13-21/h4-16,25,29-30H,17H2,1-3H3
InChIKeyVOFYTENLNHHWAQ-UHFFFAOYSA-N
MW393.53 g/mol
LogP7.09
Rot. Bonds4

About 2-[(3,5-dimethyl-1H-indol-2-yl)-phenylmethyl]-4-methyl-4-phenylcyclobuten-1-ol

2-[(3,5-dimethyl-1H-indol-2-yl)-phenylmethyl]-4-methyl-4-phenylcyclobuten-1-ol (PubChem CID 141200867) has the molecular formula C28H27NO and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1H-indol-2-yl)-phenylmethyl]-4-methyl-4-phenylcyclobuten-1-ol.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1H-indol-2-yl)-phenylmethyl]-4-methyl-4-phenylcyclobuten-1-ol
PubChem CID141200867
Molecular FormulaC28H27NO
Molecular Weight393.53 g/mol
Exact Mass393.21
IUPAC Name2-[(3,5-dimethyl-1H-indol-2-yl)-phenylmethyl]-4-methyl-4-phenylcyclobuten-1-ol
SMILESCc1ccc2[nH]c(C(C3=C(O)C(C)(c4ccccc4)C3)c3ccccc3)c(C)c2c1
InChIInChI=1S/C28H27NO/c1-18-14-15-24-22(16-18)19(2)26(29-24)25(20-10-6-4-7-11-20)23-17-28(3,27(23)30)21-12-8-5-9-13-21/h4-16,25,29-30H,17H2,1-3H3
InChIKeyVOFYTENLNHHWAQ-UHFFFAOYSA-N
XLogP7.09
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-[(3,5-dimethyl-1H-indol-2-yl)-phenylmethyl]-4-methyl-4-phenylcyclobuten-1-ol 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

2-[(5-fluoro-3-methyl-1H-indol-2-yl)-phenylmethyl]-3-hydroxy-4-methyl-4-(4-methylphenyl)cyclobut-2-en-1-one
CID 25050707
4-[(5-fluoro-3-methyl-1H-indol-2-yl)-phenylmethyl]-3-hydroxy-2-methyl-1,2-dihydropyrrol-5-one;toluene
CID 143475597
4-tert-butyl-2-[(3,6-dimethyl-1H-indol-2-yl)-phenylmethyl]phenol
CID 132583299
N-[[2-[(2-hydroxy-3-methyl-4-oxo-3-phenylcyclobuten-1-yl)-phenylmethyl]-6-methyl-1H-indol-3-yl]methyl]acetamide
CID 25050704
2-[1H-indol-3-yl-(4-methylphenyl)methyl]-3-methyl-1H-indole
CID 134975119
3,5-dimethyl-2-phenyl-1H-indole;ethane
CID 91536614
5-[(5-carboxy-3-methyl-1H-pyrrol-2-yl)-phenylmethyl]-4-methyl-1H-pyrrole-2-carboxylic acid
CID 10759439
ethane;prop-1-ene;2,3,5-trimethyl-1H-indole
CID 143420454
N-[3-[2-[[2-hydroxy-3-methyl-3-(4-methylphenyl)-4-oxocyclobuten-1-yl]-phenylmethyl]-1H-indol-3-yl]pentan-3-yl]acetamide
CID 87671261
2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one
CID 15577770
3-[1H-indol-3-yl(phenyl)methyl]-5-methyl-1H-indole
CID 25098654
3,6-dimethyl-9H-carbazole
CID 144942624

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1H-indol-2-yl)-phenylmethyl]-4-methyl-4-phenylcyclobuten-1-ol?
The IUPAC name of 2-[(3,5-dimethyl-1H-indol-2-yl)-phenylmethyl]-4-methyl-4-phenylcyclobuten-1-ol (CID 141200867) is 2-[(3,5-dimethyl-1H-indol-2-yl)-phenylmethyl]-4-methyl-4-phenylcyclobuten-1-ol.
What is the SMILES notation for 2-[(3,5-dimethyl-1H-indol-2-yl)-phenylmethyl]-4-methyl-4-phenylcyclobuten-1-ol?
The canonical SMILES for 2-[(3,5-dimethyl-1H-indol-2-yl)-phenylmethyl]-4-methyl-4-phenylcyclobuten-1-ol is Cc1ccc2[nH]c(C(C3=C(O)C(C)(c4ccccc4)C3)c3ccccc3)c(C)c2c1.
What is the InChIKey of 2-[(3,5-dimethyl-1H-indol-2-yl)-phenylmethyl]-4-methyl-4-phenylcyclobuten-1-ol?
The InChIKey is VOFYTENLNHHWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO/c1-18-14-15-24-22(16-18)19(2)26(29-24)25(20-10-6-4-7-11-20)23-17-28(3,27(23)30)21-12-8-5-9-13-21/h4-16,25,29-30H,17H2,1-3H3.
What are the key properties of 2-[(3,5-dimethyl-1H-indol-2-yl)-phenylmethyl]-4-methyl-4-phenylcyclobuten-1-ol?
2-[(3,5-dimethyl-1H-indol-2-yl)-phenylmethyl]-4-methyl-4-phenylcyclobuten-1-ol has a molecular weight of 393.53 g/mol, XLogP of 7.09, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1H-indol-2-yl)-phenylmethyl]-4-methyl-4-phenylcyclobuten-1-ol is sourced from PubChem (CID 141200867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).