2-chloro-6-methoxy-1-(4-methoxyphenyl)-3-(4-phenylmethoxyphenyl)-1H-indene

C30H25ClO3 — CID 14791412

IUPAC2-chloro-6-methoxy-1-(4-methoxyphenyl)-3-(4-phenylmethoxyphenyl)-1H-indene
SMILESCOc1ccc(C2C(Cl)=C(c3ccc(OCc4ccccc4)cc3)c3ccc(OC)cc32)cc1
InChIInChI=1S/C30H25ClO3/c1-32-23-12-8-22(9-13-23)29-27-18-25(33-2)16-17-26(27)28(30(29)31)21-10-14-24(15-11-21)34-19-20-6-4-3-5-7-20/h3-18,29H,19H2,1-2H3
InChIKeyPRQOOWRNVLQRHG-UHFFFAOYSA-N
MW468.98 g/mol
LogP7.43
Rot. Bonds7

About 2-chloro-6-methoxy-1-(4-methoxyphenyl)-3-(4-phenylmethoxyphenyl)-1H-indene

2-chloro-6-methoxy-1-(4-methoxyphenyl)-3-(4-phenylmethoxyphenyl)-1H-indene (PubChem CID 14791412) has the molecular formula C30H25ClO3 and a molecular weight of 468.98 g/mol. Its IUPAC name is 2-chloro-6-methoxy-1-(4-methoxyphenyl)-3-(4-phenylmethoxyphenyl)-1H-indene.

Molecular Properties

Compound Name2-chloro-6-methoxy-1-(4-methoxyphenyl)-3-(4-phenylmethoxyphenyl)-1H-indene
PubChem CID14791412
Molecular FormulaC30H25ClO3
Molecular Weight468.98 g/mol
Exact Mass468.15
IUPAC Name2-chloro-6-methoxy-1-(4-methoxyphenyl)-3-(4-phenylmethoxyphenyl)-1H-indene
SMILESCOc1ccc(C2C(Cl)=C(c3ccc(OCc4ccccc4)cc3)c3ccc(OC)cc32)cc1
InChIInChI=1S/C30H25ClO3/c1-32-23-12-8-22(9-13-23)29-27-18-25(33-2)16-17-26(27)28(30(29)31)21-10-14-24(15-11-21)34-19-20-6-4-3-5-7-20/h3-18,29H,19H2,1-2H3
InChIKeyPRQOOWRNVLQRHG-UHFFFAOYSA-N
XLogP7.43
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.98
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methoxy-1-(4-methoxyphenyl)-3-(4-phenylmethoxyphenyl)-1H-indene?
The IUPAC name of 2-chloro-6-methoxy-1-(4-methoxyphenyl)-3-(4-phenylmethoxyphenyl)-1H-indene (CID 14791412) is 2-chloro-6-methoxy-1-(4-methoxyphenyl)-3-(4-phenylmethoxyphenyl)-1H-indene.
What is the SMILES notation for 2-chloro-6-methoxy-1-(4-methoxyphenyl)-3-(4-phenylmethoxyphenyl)-1H-indene?
The canonical SMILES for 2-chloro-6-methoxy-1-(4-methoxyphenyl)-3-(4-phenylmethoxyphenyl)-1H-indene is COc1ccc(C2C(Cl)=C(c3ccc(OCc4ccccc4)cc3)c3ccc(OC)cc32)cc1.
What is the InChIKey of 2-chloro-6-methoxy-1-(4-methoxyphenyl)-3-(4-phenylmethoxyphenyl)-1H-indene?
The InChIKey is PRQOOWRNVLQRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25ClO3/c1-32-23-12-8-22(9-13-23)29-27-18-25(33-2)16-17-26(27)28(30(29)31)21-10-14-24(15-11-21)34-19-20-6-4-3-5-7-20/h3-18,29H,19H2,1-2H3.
What are the key properties of 2-chloro-6-methoxy-1-(4-methoxyphenyl)-3-(4-phenylmethoxyphenyl)-1H-indene?
2-chloro-6-methoxy-1-(4-methoxyphenyl)-3-(4-phenylmethoxyphenyl)-1H-indene has a molecular weight of 468.98 g/mol, XLogP of 7.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methoxy-1-(4-methoxyphenyl)-3-(4-phenylmethoxyphenyl)-1H-indene is sourced from PubChem (CID 14791412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).