(1R)-4-[4-(2-methylpropyl)phenyl]-1-phenoxy-2,3-dihydro-1H-indene

C25H26O — CID 141406449

IUPAC(1R)-4-[4-(2-methylpropyl)phenyl]-1-phenoxy-2,3-dihydro-1H-indene
SMILESCC(C)Cc1ccc(-c2cccc3c2CC[C@H]3Oc2ccccc2)cc1
InChIInChI=1S/C25H26O/c1-18(2)17-19-11-13-20(14-12-19)22-9-6-10-24-23(22)15-16-25(24)26-21-7-4-3-5-8-21/h3-14,18,25H,15-17H2,1-2H3/t25-/m1/s1
InChIKeyNZWXUQSJMAVRMX-RUZDIDTESA-N
MW342.48 g/mol
LogP6.62
Rot. Bonds5

About (1R)-4-[4-(2-methylpropyl)phenyl]-1-phenoxy-2,3-dihydro-1H-indene

(1R)-4-[4-(2-methylpropyl)phenyl]-1-phenoxy-2,3-dihydro-1H-indene (PubChem CID 141406449) has the molecular formula C25H26O and a molecular weight of 342.48 g/mol. Its IUPAC name is (1R)-4-[4-(2-methylpropyl)phenyl]-1-phenoxy-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name(1R)-4-[4-(2-methylpropyl)phenyl]-1-phenoxy-2,3-dihydro-1H-indene
PubChem CID141406449
Molecular FormulaC25H26O
Molecular Weight342.48 g/mol
Exact Mass342.20
IUPAC Name(1R)-4-[4-(2-methylpropyl)phenyl]-1-phenoxy-2,3-dihydro-1H-indene
SMILESCC(C)Cc1ccc(-c2cccc3c2CC[C@H]3Oc2ccccc2)cc1
InChIInChI=1S/C25H26O/c1-18(2)17-19-11-13-20(14-12-19)22-9-6-10-24-23(22)15-16-25(24)26-21-7-4-3-5-8-21/h3-14,18,25H,15-17H2,1-2H3/t25-/m1/s1
InChIKeyNZWXUQSJMAVRMX-RUZDIDTESA-N
XLogP6.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.48
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-4-[4-(2-methylpropyl)phenyl]-1-phenoxy-2,3-dihydro-1H-indene?
The IUPAC name of (1R)-4-[4-(2-methylpropyl)phenyl]-1-phenoxy-2,3-dihydro-1H-indene (CID 141406449) is (1R)-4-[4-(2-methylpropyl)phenyl]-1-phenoxy-2,3-dihydro-1H-indene.
What is the SMILES notation for (1R)-4-[4-(2-methylpropyl)phenyl]-1-phenoxy-2,3-dihydro-1H-indene?
The canonical SMILES for (1R)-4-[4-(2-methylpropyl)phenyl]-1-phenoxy-2,3-dihydro-1H-indene is CC(C)Cc1ccc(-c2cccc3c2CC[C@H]3Oc2ccccc2)cc1.
What is the InChIKey of (1R)-4-[4-(2-methylpropyl)phenyl]-1-phenoxy-2,3-dihydro-1H-indene?
The InChIKey is NZWXUQSJMAVRMX-RUZDIDTESA-N. The full InChI is InChI=1S/C25H26O/c1-18(2)17-19-11-13-20(14-12-19)22-9-6-10-24-23(22)15-16-25(24)26-21-7-4-3-5-8-21/h3-14,18,25H,15-17H2,1-2H3/t25-/m1/s1.
What are the key properties of (1R)-4-[4-(2-methylpropyl)phenyl]-1-phenoxy-2,3-dihydro-1H-indene?
(1R)-4-[4-(2-methylpropyl)phenyl]-1-phenoxy-2,3-dihydro-1H-indene has a molecular weight of 342.48 g/mol, XLogP of 6.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-[4-(2-methylpropyl)phenyl]-1-phenoxy-2,3-dihydro-1H-indene is sourced from PubChem (CID 141406449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).