1-[5-[2-(2,4-dimethylphenyl)ethyl]-6-methyl-3H-inden-1-yl]propan-2-ol

C23H28O — CID 130284415

IUPAC1-[5-[2-(2,4-dimethylphenyl)ethyl]-6-methyl-3H-inden-1-yl]propan-2-ol
SMILESCc1ccc(CCc2cc3c(cc2C)C(CC(C)O)=CC3)c(C)c1
InChIInChI=1S/C23H28O/c1-15-5-6-19(16(2)11-15)7-8-20-14-22-10-9-21(13-18(4)24)23(22)12-17(20)3/h5-6,9,11-12,14,18,24H,7-8,10,13H2,1-4H3
InChIKeyDEPXTYHTAKFBDH-UHFFFAOYSA-N
MW320.48 g/mol
LogP5.11
Rot. Bonds5

About 1-[5-[2-(2,4-dimethylphenyl)ethyl]-6-methyl-3H-inden-1-yl]propan-2-ol

1-[5-[2-(2,4-dimethylphenyl)ethyl]-6-methyl-3H-inden-1-yl]propan-2-ol (PubChem CID 130284415) has the molecular formula C23H28O and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-[5-[2-(2,4-dimethylphenyl)ethyl]-6-methyl-3H-inden-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[5-[2-(2,4-dimethylphenyl)ethyl]-6-methyl-3H-inden-1-yl]propan-2-ol
PubChem CID130284415
Molecular FormulaC23H28O
Molecular Weight320.48 g/mol
Exact Mass320.21
IUPAC Name1-[5-[2-(2,4-dimethylphenyl)ethyl]-6-methyl-3H-inden-1-yl]propan-2-ol
SMILESCc1ccc(CCc2cc3c(cc2C)C(CC(C)O)=CC3)c(C)c1
InChIInChI=1S/C23H28O/c1-15-5-6-19(16(2)11-15)7-8-20-14-22-10-9-21(13-18(4)24)23(22)12-17(20)3/h5-6,9,11-12,14,18,24H,7-8,10,13H2,1-4H3
InChIKeyDEPXTYHTAKFBDH-UHFFFAOYSA-N
XLogP5.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.48
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-amino-4-(6-methyl-3H-inden-1-yl)butan-2-one
CID 167541271
3-amino-4-(6-methyl-3H-inden-1-yl)butan-2-one
CID 167541272
1-(2-ethyl-5-methylphenyl)propan-2-ol
CID 117277868
1-(3-chloro-4-methylpentyl)-2,4-dimethylbenzene
CID 64509110
(2S)-1-[(2,4-dimethylphenyl)methylamino]propan-2-ol
CID 93033161
(2R)-4-(2,4-dimethylphenyl)butan-2-amine
CID 95375920
ethane;3-ethyl-6-methyl-1H-indene;methanol
CID 91275305
6-(2,4-dimethylphenyl)-2-methylhexan-3-one
CID 83928031
1-(2,4-dimethylphenyl)propan-2-amine
CID 541870
1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 115196905
(2S)-1-(3,4-dihydronaphthalen-1-yl)propan-2-ol
CID 102513360
3-(2,4-dimethylphenyl)-N-(3-hydroxybutyl)-N-methylpropanamide
CID 111695476

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(2,4-dimethylphenyl)ethyl]-6-methyl-3H-inden-1-yl]propan-2-ol?
The IUPAC name of 1-[5-[2-(2,4-dimethylphenyl)ethyl]-6-methyl-3H-inden-1-yl]propan-2-ol (CID 130284415) is 1-[5-[2-(2,4-dimethylphenyl)ethyl]-6-methyl-3H-inden-1-yl]propan-2-ol.
What is the SMILES notation for 1-[5-[2-(2,4-dimethylphenyl)ethyl]-6-methyl-3H-inden-1-yl]propan-2-ol?
The canonical SMILES for 1-[5-[2-(2,4-dimethylphenyl)ethyl]-6-methyl-3H-inden-1-yl]propan-2-ol is Cc1ccc(CCc2cc3c(cc2C)C(CC(C)O)=CC3)c(C)c1.
What is the InChIKey of 1-[5-[2-(2,4-dimethylphenyl)ethyl]-6-methyl-3H-inden-1-yl]propan-2-ol?
The InChIKey is DEPXTYHTAKFBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O/c1-15-5-6-19(16(2)11-15)7-8-20-14-22-10-9-21(13-18(4)24)23(22)12-17(20)3/h5-6,9,11-12,14,18,24H,7-8,10,13H2,1-4H3.
What are the key properties of 1-[5-[2-(2,4-dimethylphenyl)ethyl]-6-methyl-3H-inden-1-yl]propan-2-ol?
1-[5-[2-(2,4-dimethylphenyl)ethyl]-6-methyl-3H-inden-1-yl]propan-2-ol has a molecular weight of 320.48 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(2,4-dimethylphenyl)ethyl]-6-methyl-3H-inden-1-yl]propan-2-ol is sourced from PubChem (CID 130284415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).