2-tert-butyl-4-(4-methoxyphenyl)-1H-indene

C20H22O — CID 87961320

IUPAC2-tert-butyl-4-(4-methoxyphenyl)-1H-indene
SMILESCOc1ccc(-c2cccc3c2C=C(C(C)(C)C)C3)cc1
InChIInChI=1S/C20H22O/c1-20(2,3)16-12-15-6-5-7-18(19(15)13-16)14-8-10-17(21-4)11-9-14/h5-11,13H,12H2,1-4H3
InChIKeyRXWPEKMJISWOLT-UHFFFAOYSA-N
MW278.40 g/mol
LogP5.35
Rot. Bonds2

About 2-tert-butyl-4-(4-methoxyphenyl)-1H-indene

2-tert-butyl-4-(4-methoxyphenyl)-1H-indene (PubChem CID 87961320) has the molecular formula C20H22O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-tert-butyl-4-(4-methoxyphenyl)-1H-indene.

Molecular Properties

Compound Name2-tert-butyl-4-(4-methoxyphenyl)-1H-indene
PubChem CID87961320
Molecular FormulaC20H22O
Molecular Weight278.40 g/mol
Exact Mass278.17
IUPAC Name2-tert-butyl-4-(4-methoxyphenyl)-1H-indene
SMILESCOc1ccc(-c2cccc3c2C=C(C(C)(C)C)C3)cc1
InChIInChI=1S/C20H22O/c1-20(2,3)16-12-15-6-5-7-18(19(15)13-16)14-8-10-17(21-4)11-9-14/h5-11,13H,12H2,1-4H3
InChIKeyRXWPEKMJISWOLT-UHFFFAOYSA-N
XLogP5.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.40
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-4-(4-tert-butylphenyl)-1H-indene
CID 87188622
2-tert-butyl-4-phenyl-1H-indene
CID 87188208
4-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butyl-1H-indene
CID 141047271
4-(3,5-dimethoxyphenyl)-2-methyl-1H-indene
CID 173192850
1-tert-butyl-2-(4-methoxyphenyl)benzene
CID 58663059
4-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 147099645
4-(4-methoxyphenyl)-2,6-dimethyl-1H-indene
CID 173192637
4-(3,5-ditert-butyl-4-methoxyphenyl)-2-methyl-1H-indene;dichlorozirconium
CID 174797016
trimethoxy-[2-[4-(2-methyl-1H-inden-4-yl)phenyl]ethyl]silane
CID 156900254
1-[2-[2-(4-naphthalen-1-yl-1H-inden-2-yl)propan-2-yl]-1H-inden-4-yl]naphthalene
CID 18369872
2-[[2,6-bis(4-methoxyphenyl)phenyl]disulfanyl]-1,3-bis(4-methoxyphenyl)benzene
CID 87488450
1-(4-methoxyphenyl)-5-(4-methylphenyl)naphthalene
CID 142669243

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(4-methoxyphenyl)-1H-indene?
The IUPAC name of 2-tert-butyl-4-(4-methoxyphenyl)-1H-indene (CID 87961320) is 2-tert-butyl-4-(4-methoxyphenyl)-1H-indene.
What is the SMILES notation for 2-tert-butyl-4-(4-methoxyphenyl)-1H-indene?
The canonical SMILES for 2-tert-butyl-4-(4-methoxyphenyl)-1H-indene is COc1ccc(-c2cccc3c2C=C(C(C)(C)C)C3)cc1.
What is the InChIKey of 2-tert-butyl-4-(4-methoxyphenyl)-1H-indene?
The InChIKey is RXWPEKMJISWOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O/c1-20(2,3)16-12-15-6-5-7-18(19(15)13-16)14-8-10-17(21-4)11-9-14/h5-11,13H,12H2,1-4H3.
What are the key properties of 2-tert-butyl-4-(4-methoxyphenyl)-1H-indene?
2-tert-butyl-4-(4-methoxyphenyl)-1H-indene has a molecular weight of 278.40 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(4-methoxyphenyl)-1H-indene is sourced from PubChem (CID 87961320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).