7-(3-tert-butyl-5-propan-2-ylphenyl)-4-methoxy-2-methyl-1H-indene

C24H30O — CID 123867978

IUPAC7-(3-tert-butyl-5-propan-2-ylphenyl)-4-methoxy-2-methyl-1H-indene
SMILESCOc1ccc(-c2cc(C(C)C)cc(C(C)(C)C)c2)c2c1C=C(C)C2
InChIInChI=1S/C24H30O/c1-15(2)17-12-18(14-19(13-17)24(4,5)6)20-8-9-23(25-7)22-11-16(3)10-21(20)22/h8-9,11-15H,10H2,1-7H3
InChIKeyRWOWPZJAYBVIDH-UHFFFAOYSA-N
MW334.50 g/mol
LogP6.74
Rot. Bonds3

About 7-(3-tert-butyl-5-propan-2-ylphenyl)-4-methoxy-2-methyl-1H-indene

7-(3-tert-butyl-5-propan-2-ylphenyl)-4-methoxy-2-methyl-1H-indene (PubChem CID 123867978) has the molecular formula C24H30O and a molecular weight of 334.50 g/mol. Its IUPAC name is 7-(3-tert-butyl-5-propan-2-ylphenyl)-4-methoxy-2-methyl-1H-indene.

Molecular Properties

Compound Name7-(3-tert-butyl-5-propan-2-ylphenyl)-4-methoxy-2-methyl-1H-indene
PubChem CID123867978
Molecular FormulaC24H30O
Molecular Weight334.50 g/mol
Exact Mass334.23
IUPAC Name7-(3-tert-butyl-5-propan-2-ylphenyl)-4-methoxy-2-methyl-1H-indene
SMILESCOc1ccc(-c2cc(C(C)C)cc(C(C)(C)C)c2)c2c1C=C(C)C2
InChIInChI=1S/C24H30O/c1-15(2)17-12-18(14-19(13-17)24(4,5)6)20-8-9-23(25-7)22-11-16(3)10-21(20)22/h8-9,11-15H,10H2,1-7H3
InChIKeyRWOWPZJAYBVIDH-UHFFFAOYSA-N
XLogP6.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.50
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-(3,5-ditert-butylphenyl)-2,4-dimethyl-1H-indene
CID 123862995
4,7-bis(4-tert-butylphenyl)-2-methyl-1H-indene
CID 59537041
(6-tert-butyl-2,5-dimethyl-4-phenyl-1H-inden-1-yl)-chloro-dimethylsilane;(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-[4-(3,5-ditert-butylphenyl)-2,7-dimethyl-1H-inden-1-yl]-dimethylsilane;7-(3,5-ditert-butylphenyl)-4-methoxy-2-methyl-1H-indene
CID 158797968
2-tert-butyl-1-methoxy-3-methyl-5-propan-2-ylbenzene
CID 170384005
2-[3-(2-methoxy-5-propan-2-ylphenyl)phenyl]propan-2-ol
CID 165115865
tritert-butyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium
CID 129084965
4-tert-butyl-2-methyl-1-(3-propan-2-ylphenyl)benzene
CID 165380290
5-tert-butyl-1,3-dimethoxy-2-methylbenzene
CID 59572485
4-(3,5-ditert-butyl-4-methoxyphenyl)-2-methyl-1H-indene;dichlorozirconium
CID 174797016
N-(5-tert-butyl-2-methoxyphenyl)-4-propan-2-ylbenzamide
CID 7935956
4-(3,5-dimethoxyphenyl)-2-methyl-1H-indene
CID 173192850
[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dimethylphosphane
CID 127262764

Frequently Asked Questions

What is the IUPAC name of 7-(3-tert-butyl-5-propan-2-ylphenyl)-4-methoxy-2-methyl-1H-indene?
The IUPAC name of 7-(3-tert-butyl-5-propan-2-ylphenyl)-4-methoxy-2-methyl-1H-indene (CID 123867978) is 7-(3-tert-butyl-5-propan-2-ylphenyl)-4-methoxy-2-methyl-1H-indene.
What is the SMILES notation for 7-(3-tert-butyl-5-propan-2-ylphenyl)-4-methoxy-2-methyl-1H-indene?
The canonical SMILES for 7-(3-tert-butyl-5-propan-2-ylphenyl)-4-methoxy-2-methyl-1H-indene is COc1ccc(-c2cc(C(C)C)cc(C(C)(C)C)c2)c2c1C=C(C)C2.
What is the InChIKey of 7-(3-tert-butyl-5-propan-2-ylphenyl)-4-methoxy-2-methyl-1H-indene?
The InChIKey is RWOWPZJAYBVIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O/c1-15(2)17-12-18(14-19(13-17)24(4,5)6)20-8-9-23(25-7)22-11-16(3)10-21(20)22/h8-9,11-15H,10H2,1-7H3.
What are the key properties of 7-(3-tert-butyl-5-propan-2-ylphenyl)-4-methoxy-2-methyl-1H-indene?
7-(3-tert-butyl-5-propan-2-ylphenyl)-4-methoxy-2-methyl-1H-indene has a molecular weight of 334.50 g/mol, XLogP of 6.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-tert-butyl-5-propan-2-ylphenyl)-4-methoxy-2-methyl-1H-indene is sourced from PubChem (CID 123867978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).